4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine

C24H27ClN4 — CID 10549355

IUPAC4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H27ClN4/c1-17-22(19-7-9-21(25)10-8-19)27-24(26)28-23(17)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,26,27,28)
InChIKeyLXBQQANESCMCJU-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.11
Rot. Bonds5

About 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine

4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 10549355) has the molecular formula C24H27ClN4 and a molecular weight of 406.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID10549355
Molecular FormulaC24H27ClN4
Molecular Weight406.96 g/mol
Exact Mass406.19
IUPAC Name4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H27ClN4/c1-17-22(19-7-9-21(25)10-8-19)27-24(26)28-23(17)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,26,27,28)
InChIKeyLXBQQANESCMCJU-UHFFFAOYSA-N
XLogP5.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine (CID 10549355) is 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine is Cc1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is LXBQQANESCMCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4/c1-17-22(19-7-9-21(25)10-8-19)27-24(26)28-23(17)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,26,27,28).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine?
4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 406.96 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-6-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10549355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).