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

C18H24N4 — CID 112901009

IUPACN-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H24N4/c1-3-15-8-4-5-9-16(15)20-18-19-11-10-17(21-18)22-12-6-7-14(2)13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,19,20,21)
InChIKeyHJFQXDAGUBRZRA-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.02
Rot. Bonds4

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

N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112901009) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112901009
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H24N4/c1-3-15-8-4-5-9-16(15)20-18-19-11-10-17(21-18)22-12-6-7-14(2)13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,19,20,21)
InChIKeyHJFQXDAGUBRZRA-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
1-[2-(2-ethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193987
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
N-[(3S)-1-[2-(2-nitroanilino)pyrimidin-4-yl]piperidin-3-yl]propane-1-sulfonamide
CID 129409162
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112901009) is N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CCc1ccccc1Nc1nccc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is HJFQXDAGUBRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15-8-4-5-9-16(15)20-18-19-11-10-17(21-18)22-12-6-7-14(2)13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112901009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).