2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine

C24H29N5 — CID 112932695

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nc(NC(C)C)cc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C24H29N5/c1-18(2)25-23-17-22(20-9-5-4-6-10-20)26-24(27-23)29-14-12-28(13-15-29)21-11-7-8-19(3)16-21/h4-11,16-18H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyWXPULCBZRUDDOF-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.60
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine

2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112932695) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID112932695
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nc(NC(C)C)cc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C24H29N5/c1-18(2)25-23-17-22(20-9-5-4-6-10-20)26-24(27-23)29-14-12-28(13-15-29)21-11-7-8-19(3)16-21/h4-11,16-18H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyWXPULCBZRUDDOF-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932687
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine (CID 112932695) is 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine is Cc1cccc(N2CCN(c3nc(NC(C)C)cc(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is WXPULCBZRUDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-18(2)25-23-17-22(20-9-5-4-6-10-20)26-24(27-23)29-14-12-28(13-15-29)21-11-7-8-19(3)16-21/h4-11,16-18H,12-15H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine?
2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112932695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).