2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C14H24N6 — CID 53233802

IUPAC2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(15)17-14(18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyIGLCVBMHZYOWIQ-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.17
Rot. Bonds3

About 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 53233802) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID53233802
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(15)17-14(18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyIGLCVBMHZYOWIQ-UHFFFAOYSA-N
XLogP1.17
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)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

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 14585243
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 53233802) is 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(N)nc(NC3CCCC3)n2)CC1.
What is the InChIKey of 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is IGLCVBMHZYOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(15)17-14(18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 53233802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).