4-cyclopentyl-1H-pyrimidine-2,4-diamine

C9H16N4 — CID 67412227

IUPAC4-cyclopentyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCCC2)C=CN1
InChIInChI=1S/C9H16N4/c10-8-12-6-5-9(11,13-8)7-3-1-2-4-7/h5-7H,1-4,11H2,(H3,10,12,13)
InChIKeyQKOPNHVSZBSBBE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.26
Rot. Bonds1

About 4-cyclopentyl-1H-pyrimidine-2,4-diamine

4-cyclopentyl-1H-pyrimidine-2,4-diamine (PubChem CID 67412227) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-cyclopentyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclopentyl-1H-pyrimidine-2,4-diamine
PubChem CID67412227
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-cyclopentyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCCC2)C=CN1
InChIInChI=1S/C9H16N4/c10-8-12-6-5-9(11,13-8)7-3-1-2-4-7/h5-7H,1-4,11H2,(H3,10,12,13)
InChIKeyQKOPNHVSZBSBBE-UHFFFAOYSA-N
XLogP0.26
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-1H-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

4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-cyclohexyl-1H-pyrimidine-2,4-diamine
CID 67412285
4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
CID 135331790
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 143492573
4-(cyclohexylmethyl)-1H-pyrimidine-2,4-diamine
CID 144001151
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-cyclohexyl-1H-pyrimidine-4,6-diamine
CID 144213044
4-cyclohexyl-1H-pyrimidine-2,4,5-triamine
CID 144479156
4-piperidin-3-yl-1H-pyrimidine-2,4-diamine
CID 152166767
4-pentan-2-yl-1H-pyrimidine-2,4-diamine
CID 152683649
4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine
CID 152770299

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclopentyl-1H-pyrimidine-2,4-diamine (CID 67412227) is 4-cyclopentyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclopentyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclopentyl-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCCC2)C=CN1.
What is the InChIKey of 4-cyclopentyl-1H-pyrimidine-2,4-diamine?
The InChIKey is QKOPNHVSZBSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-8-12-6-5-9(11,13-8)7-3-1-2-4-7/h5-7H,1-4,11H2,(H3,10,12,13).
What are the key properties of 4-cyclopentyl-1H-pyrimidine-2,4-diamine?
4-cyclopentyl-1H-pyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 67412227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).