6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C161H184N40O2 — CID 161041251

IUPAC6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.COc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.COc1ccccc1Nc1cc(CN(C)Cc2ccccc2)nc(N)n1.Cc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN(C)c3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN3CCCc4ccccc43)nc(N)n2)cc1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1
InChIInChI=1S/C21H23N5.C21H25N5.2C20H23N5O.3C20H23N5.C19H21N5/c1-15-8-10-17(11-9-15)23-20-13-18(24-21(22)25-20)14-26-12-4-6-16-5-2-3-7-19(16)26;1-3-16-9-11-18(12-10-16)23-20-13-19(24-21(22)25-20)15-26(2)14-17-7-5-4-6-8-17;1-25(13-15-8-4-3-5-9-15)14-16-12-19(24-20(21)22-16)23-17-10-6-7-11-18(17)26-2;1-25(13-15-7-4-3-5-8-15)14-17-12-19(24-20(21)23-17)22-16-9-6-10-18(11-16)26-2;2*1-15-7-6-10-17(11-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-8-4-3-5-9-16;1-15-8-10-17(11-9-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)21-18-12-16(22-19(20)23-18)13-24(2)17-6-4-3-5-7-17/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H3,22,23,24,25);4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13H2,1-2H3,(H3,20,21,22,23)
InChIKeyUAXJDSBOMOAGTF-UHFFFAOYSA-N
MW2711.52 g/mol
LogP29.92
Rot. Bonds48

About 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 161041251) has the molecular formula C161H184N40O2 and a molecular weight of 2711.52 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID161041251
Molecular FormulaC161H184N40O2
Molecular Weight2711.52 g/mol
Exact Mass2709.55
IUPAC Name6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.COc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.COc1ccccc1Nc1cc(CN(C)Cc2ccccc2)nc(N)n1.Cc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN(C)c3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN3CCCc4ccccc43)nc(N)n2)cc1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1
InChIInChI=1S/C21H23N5.C21H25N5.2C20H23N5O.3C20H23N5.C19H21N5/c1-15-8-10-17(11-9-15)23-20-13-18(24-21(22)25-20)14-26-12-4-6-16-5-2-3-7-19(16)26;1-3-16-9-11-18(12-10-16)23-20-13-19(24-21(22)25-20)15-26(2)14-17-7-5-4-6-8-17;1-25(13-15-8-4-3-5-9-15)14-16-12-19(24-20(21)22-16)23-17-10-6-7-11-18(17)26-2;1-25(13-15-7-4-3-5-8-15)14-17-12-19(24-20(21)23-17)22-16-9-6-10-18(11-16)26-2;2*1-15-7-6-10-17(11-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-8-4-3-5-9-16;1-15-8-10-17(11-9-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)21-18-12-16(22-19(20)23-18)13-24(2)17-6-4-3-5-7-17/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H3,22,23,24,25);4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13H2,1-2H3,(H3,20,21,22,23)
InChIKeyUAXJDSBOMOAGTF-UHFFFAOYSA-N
XLogP29.92
TPSA555.02 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds48
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.52
LogP ≤ 529.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 161041251) is 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is CCc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.COc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.COc1ccccc1Nc1cc(CN(C)Cc2ccccc2)nc(N)n1.Cc1ccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN(C)c3ccccc3)nc(N)n2)cc1.Cc1ccc(Nc2cc(CN3CCCc4ccccc43)nc(N)n2)cc1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.Cc1cccc(Nc2cc(CN(C)Cc3ccccc3)nc(N)n2)c1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UAXJDSBOMOAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5.C21H25N5.2C20H23N5O.3C20H23N5.C19H21N5/c1-15-8-10-17(11-9-15)23-20-13-18(24-21(22)25-20)14-26-12-4-6-16-5-2-3-7-19(16)26;1-3-16-9-11-18(12-10-16)23-20-13-19(24-21(22)25-20)15-26(2)14-17-7-5-4-6-8-17;1-25(13-15-8-4-3-5-9-15)14-16-12-19(24-20(21)22-16)23-17-10-6-7-11-18(17)26-2;1-25(13-15-7-4-3-5-8-15)14-17-12-19(24-20(21)23-17)22-16-9-6-10-18(11-16)26-2;2*1-15-7-6-10-17(11-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-8-4-3-5-9-16;1-15-8-10-17(11-9-15)22-19-12-18(23-20(21)24-19)14-25(2)13-16-6-4-3-5-7-16;1-14-8-10-15(11-9-14)21-18-12-16(22-19(20)23-18)13-24(2)17-6-4-3-5-7-17/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H3,22,23,24,25);4-13H,3,14-15H2,1-2H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2711.52 g/mol, XLogP of 29.92, 48 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161041251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).