4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine

C47H52Cl3N11O4 — CID 158014813

IUPAC4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(Cl)c2N)cc1.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C23H28N4O2.C20H21ClN4O2.C4H3Cl2N3/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18;1-26-16-7-3-14(4-8-16)11-25(20-18(22)19(21)23-13-24-20)12-15-5-9-17(27-2)10-6-15;5-3-2(7)4(6)9-1-8-3/h5-12,15-16H,13-14,24H2,1-4H3;3-10,13H,11-12,22H2,1-2H3;1H,7H2
InChIKeyFFIDBWWFRSHGDG-UHFFFAOYSA-N
MW941.37 g/mol
LogP9.71
Rot. Bonds15

About 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine

4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine (PubChem CID 158014813) has the molecular formula C47H52Cl3N11O4 and a molecular weight of 941.37 g/mol. Its IUPAC name is 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine.

Molecular Properties

Compound Name4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
PubChem CID158014813
Molecular FormulaC47H52Cl3N11O4
Molecular Weight941.37 g/mol
Exact Mass939.33
IUPAC Name4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(Cl)c2N)cc1.Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C23H28N4O2.C20H21ClN4O2.C4H3Cl2N3/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18;1-26-16-7-3-14(4-8-16)11-25(20-18(22)19(21)23-13-24-20)12-15-5-9-17(27-2)10-6-15;5-3-2(7)4(6)9-1-8-3/h5-12,15-16H,13-14,24H2,1-4H3;3-10,13H,11-12,22H2,1-2H3;1H,7H2
InChIKeyFFIDBWWFRSHGDG-UHFFFAOYSA-N
XLogP9.71
TPSA198.80 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.37
LogP ≤ 59.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine?
The IUPAC name of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine (CID 158014813) is 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine.
What is the SMILES notation for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine?
The canonical SMILES for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(C(C)C)c2N)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc(Cl)c2N)cc1.Nc1c(Cl)ncnc1Cl.
What is the InChIKey of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine?
The InChIKey is FFIDBWWFRSHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C20H21ClN4O2.C4H3Cl2N3/c1-16(2)22-21(24)23(26-15-25-22)27(13-17-5-9-19(28-3)10-6-17)14-18-7-11-20(29-4)12-8-18;1-26-16-7-3-14(4-8-16)11-25(20-18(22)19(21)23-13-24-20)12-15-5-9-17(27-2)10-6-15;5-3-2(7)4(6)9-1-8-3/h5-12,15-16H,13-14,24H2,1-4H3;3-10,13H,11-12,22H2,1-2H3;1H,7H2.
What are the key properties of 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine?
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine has a molecular weight of 941.37 g/mol, XLogP of 9.71, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine is sourced from PubChem (CID 158014813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).