6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C24H29N5 — CID 112922264

IUPAC6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18(2)20-9-11-21(12-10-20)26-23-17-19(3)25-24(27-23)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyJGMLPGAWIZFYGT-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.98
Rot. Bonds5

About 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112922264) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112922264
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18(2)20-9-11-21(12-10-20)26-23-17-19(3)25-24(27-23)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyJGMLPGAWIZFYGT-UHFFFAOYSA-N
XLogP4.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922275
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922971
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
4-[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914776
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 112922264) is 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccc(C(C)C)cc2)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is JGMLPGAWIZFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18(2)20-9-11-21(12-10-20)26-23-17-19(3)25-24(27-23)29-15-13-28(14-16-29)22-7-5-4-6-8-22/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27).
What are the key properties of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).