4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

C24H29N5 — CID 112936303

IUPAC4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-18(2)19-9-11-21(12-10-19)25-24-26-22(20-7-5-4-6-8-20)17-23(27-24)29-15-13-28(3)14-16-29/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyRBQBHIRXLNMSKQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.76
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 112936303) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID112936303
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-18(2)19-9-11-21(12-10-19)25-24-26-22(20-7-5-4-6-8-20)17-23(27-24)29-15-13-28(3)14-16-29/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyRBQBHIRXLNMSKQ-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936313
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
1-[4-[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 11517478
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (CID 112936303) is 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is CC(C)c1ccc(Nc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is RBQBHIRXLNMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18(2)19-9-11-21(12-10-19)25-24-26-22(20-7-5-4-6-8-20)17-23(27-24)29-15-13-28(3)14-16-29/h4-12,17-18H,13-16H2,1-3H3,(H,25,26,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112936303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).