N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

C18H23N5 — CID 112932936

IUPACN-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5/c1-22-9-11-23(12-10-22)18-20-16(14-5-3-2-4-6-14)13-17(21-18)19-15-7-8-15/h2-6,13,15H,7-12H2,1H3,(H,19,20,21)
InChIKeyOOSIRTLRBRTREM-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112932936) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112932936
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5/c1-22-9-11-23(12-10-22)18-20-16(14-5-3-2-4-6-14)13-17(21-18)19-15-7-8-15/h2-6,13,15H,7-12H2,1H3,(H,19,20,21)
InChIKeyOOSIRTLRBRTREM-UHFFFAOYSA-N
XLogP2.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-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

N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932983
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936505
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936417
2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidin-4-amine
CID 112937542
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112932936) is N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CN1CCN(c2nc(NC3CC3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is OOSIRTLRBRTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-22-9-11-23(12-10-22)18-20-16(14-5-3-2-4-6-14)13-17(21-18)19-15-7-8-15/h2-6,13,15H,7-12H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).