2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

C17H17N5 — CID 71204003

IUPAC2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2ccnc(-c3cccnc3N)n2)cc1
InChIInChI=1S/C17H17N5/c1-12-4-6-13(7-5-12)11-21-15-8-10-20-17(22-15)14-3-2-9-19-16(14)18/h2-10H,11H2,1H3,(H2,18,19)(H,20,21,22)
InChIKeyUFHCYJBYNNKECA-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 71204003) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID71204003
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2ccnc(-c3cccnc3N)n2)cc1
InChIInChI=1S/C17H17N5/c1-12-4-6-13(7-5-12)11-21-15-8-10-20-17(22-15)14-3-2-9-19-16(14)18/h2-10H,11H2,1H3,(H2,18,19)(H,20,21,22)
InChIKeyUFHCYJBYNNKECA-UHFFFAOYSA-N
XLogP3.04
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 71204134
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
CID 171495410
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831876
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 175833997
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (CID 71204003) is 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2ccnc(-c3cccnc3N)n2)cc1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is UFHCYJBYNNKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-12-4-6-13(7-5-12)11-21-15-8-10-20-17(22-15)14-3-2-9-19-16(14)18/h2-10H,11H2,1H3,(H2,18,19)(H,20,21,22).
What are the key properties of 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 71204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).