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

C24H29N5 — CID 112896348

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-23-12-13-25-24(27-23)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)
InChIKeyVDZOCRWIMKTBSG-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.67
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112896348) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112896348
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-23-12-13-25-24(27-23)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)
InChIKeyVDZOCRWIMKTBSG-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

4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898704
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
(3R,4R)-1-[4-(4-chloroanilino)pyrimidin-2-yl]-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
CID 58451027
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 112896348) is 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccc(Nc2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is VDZOCRWIMKTBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-19(2)21-8-10-22(11-9-21)26-23-12-13-25-24(27-23)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 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-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 2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112896348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).