4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine

C11H13N5O — CID 19137145

IUPAC4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(N)c2N)cc1
InChIInChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,12H2,1H3,(H3,13,14,15,16)
InChIKeyGKEQCGFNGXFMJG-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.39
Rot. Bonds3

About 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine

4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19137145) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19137145
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(N)c2N)cc1
InChIInChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,12H2,1H3,(H3,13,14,15,16)
InChIKeyGKEQCGFNGXFMJG-UHFFFAOYSA-N
XLogP1.39
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19149093
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
1-[4-[(5,6-diaminopyrimidin-4-yl)amino]phenyl]ethanone
CID 19137147
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 19137145) is 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(N)c2N)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is GKEQCGFNGXFMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,12H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 231.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).