2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

C15H20N6 — CID 69059062

IUPAC2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cccc(Nc3nccc(N)n3)c2)CC1
InChIInChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)13-4-2-3-12(11-13)18-15-17-6-5-14(16)19-15/h2-6,11H,7-10H2,1H3,(H3,16,17,18,19)
InChIKeyNLSWSUCNOHOQIN-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.55
Rot. Bonds3

About 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 69059062) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID69059062
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cccc(Nc3nccc(N)n3)c2)CC1
InChIInChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)13-4-2-3-12(11-13)18-15-17-6-5-14(16)19-15/h2-6,11H,7-10H2,1H3,(H3,16,17,18,19)
InChIKeyNLSWSUCNOHOQIN-UHFFFAOYSA-N
XLogP1.55
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine 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

2-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 91394496
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680
2-[[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
N-[(3-carbamoylphenyl)methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 59777093
N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774120
4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 170790895
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711673
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine (CID 69059062) is 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine is CN1CCN(c2cccc(Nc3nccc(N)n3)c2)CC1.
What is the InChIKey of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is NLSWSUCNOHOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)13-4-2-3-12(11-13)18-15-17-6-5-14(16)19-15/h2-6,11H,7-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine?
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 284.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69059062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).