N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C17H22N4 — CID 112900997

IUPACN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H22N4/c1-13-6-5-11-21(12-13)16-9-10-18-17(20-16)19-15-8-4-3-7-14(15)2/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyKJYNXVHUMIBDHW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.76
Rot. Bonds3

About N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112900997) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112900997
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H22N4/c1-13-6-5-11-21(12-13)16-9-10-18-17(20-16)19-15-8-4-3-7-14(15)2/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyKJYNXVHUMIBDHW-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
4-[2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888570
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112900997) is N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1ccccc1Nc1nccc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is KJYNXVHUMIBDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-6-5-11-21(12-13)16-9-10-18-17(20-16)19-15-8-4-3-7-14(15)2/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112900997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).