4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine

C22H25N5O — CID 135201379

IUPAC4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(CN3CCCC3c3ccccc3)nc(N)n2)c1
InChIInChI=1S/C22H25N5O/c1-28-19-10-5-9-17(13-19)24-21-14-18(25-22(23)26-21)15-27-12-6-11-20(27)16-7-3-2-4-8-16/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H3,23,24,25,26)
InChIKeyRWOGDFXAJLIMRE-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.15
Rot. Bonds6

About 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine

4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 135201379) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
PubChem CID135201379
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2cc(CN3CCCC3c3ccccc3)nc(N)n2)c1
InChIInChI=1S/C22H25N5O/c1-28-19-10-5-9-17(13-19)24-21-14-18(25-22(23)26-21)15-27-12-6-11-20(27)16-7-3-2-4-8-16/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H3,23,24,25,26)
InChIKeyRWOGDFXAJLIMRE-UHFFFAOYSA-N
XLogP4.15
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
CID 164986795
6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 135201977
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
6-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 95713138
5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine (CID 135201379) is 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine is COc1cccc(Nc2cc(CN3CCCC3c3ccccc3)nc(N)n2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RWOGDFXAJLIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-28-19-10-5-9-17(13-19)24-21-14-18(25-22(23)26-21)15-27-12-6-11-20(27)16-7-3-2-4-8-16/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H3,23,24,25,26).
What are the key properties of 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine?
4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 375.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135201379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).