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

C24H29N5 — CID 112874738

IUPAC2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C(C)C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18(2)21-11-7-8-12-22(21)27-23-17-24(26-19(3)25-23)29-15-13-28(14-16-29)20-9-5-4-6-10-20/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyWISUVDJERNSSGD-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.98
Rot. Bonds5

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

2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112874738) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112874738
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C(C)C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N5/c1-18(2)21-11-7-8-12-22(21)27-23-17-24(26-19(3)25-23)29-15-13-28(14-16-29)20-9-5-4-6-10-20/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyWISUVDJERNSSGD-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

4-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871073
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112870777
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 112874738) is 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is Cc1nc(Nc2ccccc2C(C)C)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is WISUVDJERNSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18(2)21-11-7-8-12-22(21)27-23-17-24(26-19(3)25-23)29-15-13-28(14-16-29)20-9-5-4-6-10-20/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27).
What are the key properties of 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine?
2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-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 2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).