N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

C17H16N4 — CID 44820593

IUPACN-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4/c1-13-4-6-14(7-5-13)11-20-16-8-10-19-17(21-16)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyFOJYONNHAJEGTB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 44820593) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID44820593
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4/c1-13-4-6-14(7-5-13)11-20-16-8-10-19-17(21-16)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyFOJYONNHAJEGTB-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 71204003
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986
N-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 163428540
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3232817
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 44820593) is N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is Cc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is FOJYONNHAJEGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-4-6-14(7-5-13)11-20-16-8-10-19-17(21-16)15-3-2-9-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 44820593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).