4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine

C24H29N5 — CID 112922173

IUPAC4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-20-19-23(29-17-15-28(16-18-29)22-12-6-3-7-13-22)27-24(26-20)25-14-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-13,19H,8,11,14-18H2,1H3,(H,25,26,27)
InChIKeyIDYJBGYWLGCAHL-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.16
Rot. Bonds7

About 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine

4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine (PubChem CID 112922173) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
PubChem CID112922173
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-20-19-23(29-17-15-28(16-18-29)22-12-6-3-7-13-22)27-24(26-20)25-14-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-13,19H,8,11,14-18H2,1H3,(H,25,26,27)
InChIKeyIDYJBGYWLGCAHL-UHFFFAOYSA-N
XLogP4.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177
1-[6-methyl-2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194140
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 56699978
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea
CID 100774926
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-phenylpropanamide
CID 121075251
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
1-(3-methoxypropyl)-3-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]thiourea
CID 100777403
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898736
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine (CID 112922173) is 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine is Cc1cc(N2CCN(c3ccccc3)CC2)nc(NCCCc2ccccc2)n1.
What is the InChIKey of 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine?
The InChIKey is IDYJBGYWLGCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-20-19-23(29-17-15-28(16-18-29)22-12-6-3-7-13-22)27-24(26-20)25-14-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-13,19H,8,11,14-18H2,1H3,(H,25,26,27).
What are the key properties of 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine?
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).