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

C18H23ClN4 — CID 112925978

IUPACN-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4/c1-3-16-6-4-5-11-23(16)18-20-13(2)12-17(22-18)21-15-9-7-14(19)8-10-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,21,22)
InChIKeySRXXMFWLBUGADB-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.95
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112925978) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112925978
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC NameN-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4/c1-3-16-6-4-5-11-23(16)18-20-13(2)12-17(22-18)21-15-9-7-14(19)8-10-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,21,22)
InChIKeySRXXMFWLBUGADB-UHFFFAOYSA-N
XLogP4.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925981
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
N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
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
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (CID 112925978) is N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is SRXXMFWLBUGADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-3-16-6-4-5-11-23(16)18-20-13(2)12-17(22-18)21-15-9-7-14(19)8-10-15/h7-10,12,16H,3-6,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112925978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).