N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C18H23ClN4O — CID 112901152

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H23ClN4O/c1-12-5-4-8-23(11-12)18-20-7-6-17(22-18)21-15-9-13(2)14(19)10-16(15)24-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyOGOVLKVJBXCBMX-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.43
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112901152) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112901152
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H23ClN4O/c1-12-5-4-8-23(11-12)18-20-7-6-17(22-18)21-15-9-13(2)14(19)10-16(15)24-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyOGOVLKVJBXCBMX-UHFFFAOYSA-N
XLogP4.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960690
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122
2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112901131
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112901152) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COc1cc(Cl)c(C)cc1Nc1ccnc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is OGOVLKVJBXCBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12-5-4-8-23(11-12)18-20-7-6-17(22-18)21-15-9-13(2)14(19)10-16(15)24-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 346.86 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112901152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).