[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine

C18H23ClN4 — CID 56768286

IUPAC[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1nc(-c2cccc(Cl)c2)nc(N2CCC(CN)CC2)c1C
InChIInChI=1S/C18H23ClN4/c1-12-13(2)21-17(15-4-3-5-16(19)10-15)22-18(12)23-8-6-14(11-20)7-9-23/h3-5,10,14H,6-9,11,20H2,1-2H3
InChIKeySRHMVSOJHXYIMT-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.59
Rot. Bonds3

About [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 56768286) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID56768286
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1nc(-c2cccc(Cl)c2)nc(N2CCC(CN)CC2)c1C
InChIInChI=1S/C18H23ClN4/c1-12-13(2)21-17(15-4-3-5-16(19)10-15)22-18(12)23-8-6-14(11-20)7-9-23/h3-5,10,14H,6-9,11,20H2,1-2H3
InChIKeySRHMVSOJHXYIMT-UHFFFAOYSA-N
XLogP3.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767147
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767748
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 56767168
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
CID 82169369
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
3-chloroaniline;cyclopropylmethanamine
CID 69484094
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133318469

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine (CID 56768286) is [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine is Cc1nc(-c2cccc(Cl)c2)nc(N2CCC(CN)CC2)c1C.
What is the InChIKey of [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is SRHMVSOJHXYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-12-13(2)21-17(15-4-3-5-16(19)10-15)22-18(12)23-8-6-14(11-20)7-9-23/h3-5,10,14H,6-9,11,20H2,1-2H3.
What are the key properties of [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 330.86 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 56768286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).