N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

C19H25ClN4 — CID 112925981

IUPACN-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C19H25ClN4/c1-4-16-7-5-6-10-24(16)19-21-14(3)12-18(23-19)22-17-9-8-15(20)11-13(17)2/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyRUKYUECVUAZZAN-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.26
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112925981) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112925981
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C19H25ClN4/c1-4-16-7-5-6-10-24(16)19-21-14(3)12-18(23-19)22-17-9-8-15(20)11-13(17)2/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyRUKYUECVUAZZAN-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112921706
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (CID 112925981) is N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is RUKYUECVUAZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-4-16-7-5-6-10-24(16)19-21-14(3)12-18(23-19)22-17-9-8-15(20)11-13(17)2/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 344.89 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112925981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).