4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

C24H29N5 — CID 112896286

IUPAC4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nccc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-24-25-13-12-23(27-24)29-16-14-28(15-17-29)18-20-6-4-3-5-7-20/h3-13,19H,14-18H2,1-2H3,(H,25,26,27)
InChIKeyCVQMIAHCZWLPQZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 112896286) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID112896286
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nccc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-24-25-13-12-23(27-24)29-16-14-28(15-17-29)18-20-6-4-3-5-7-20/h3-13,19H,14-18H2,1-2H3,(H,25,26,27)
InChIKeyCVQMIAHCZWLPQZ-UHFFFAOYSA-N
XLogP4.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896582
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11487559
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (CID 112896286) is 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is CC(C)c1ccc(Nc2nccc(N3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is CVQMIAHCZWLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-24-25-13-12-23(27-24)29-16-14-28(15-17-29)18-20-6-4-3-5-7-20/h3-13,19H,14-18H2,1-2H3,(H,25,26,27).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112896286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).