1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine

C18H23ClN4 — CID 56767168

IUPAC1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCC(N)CC1
InChIInChI=1S/C18H23ClN4/c1-3-16-12(2)21-17(13-4-6-14(19)7-5-13)22-18(16)23-10-8-15(20)9-11-23/h4-7,15H,3,8-11,20H2,1-2H3
InChIKeyHDHAMICECVCBKW-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.60
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine

1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine (PubChem CID 56767168) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
PubChem CID56767168
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCC(N)CC1
InChIInChI=1S/C18H23ClN4/c1-3-16-12(2)21-17(13-4-6-14(19)7-5-13)22-18(16)23-10-8-15(20)9-11-23/h4-7,15H,3,8-11,20H2,1-2H3
InChIKeyHDHAMICECVCBKW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine (CID 56767168) is 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine is CCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine?
The InChIKey is HDHAMICECVCBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-3-16-12(2)21-17(13-4-6-14(19)7-5-13)22-18(16)23-10-8-15(20)9-11-23/h4-7,15H,3,8-11,20H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine?
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 56767168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).