2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile

C11H11ClN4 — CID 161278055

IUPAC2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCCCNc1nc(Cl)nc2c1C(C#N)=CC2
InChIInChI=1S/C11H11ClN4/c1-2-5-14-10-9-7(6-13)3-4-8(9)15-11(12)16-10/h3H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyVERXOFRPJWZOKI-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile

2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile (PubChem CID 161278055) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
PubChem CID161278055
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCCCNc1nc(Cl)nc2c1C(C#N)=CC2
InChIInChI=1S/C11H11ClN4/c1-2-5-14-10-9-7(6-13)3-4-8(9)15-11(12)16-10/h3H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyVERXOFRPJWZOKI-UHFFFAOYSA-N
XLogP2.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile 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

5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135260423
5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 149395907
2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 158315917
2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161059148
2-chloro-N-ethyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161593420
2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161303532
1-N-(5-fluoro-7H-cyclopenta[d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 161819118
5-(3-Aminopropyl)-6-methyl-N4-pentylpyrimidine-2,4-diamine
CID 9837870
3-[2-Amino-4-methyl-6-(pentylamino)pyrimidine-5-yl]propanenitrile
CID 22313246
2-Chloro-N-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-amine
CID 22313248
6-methyl-4-N-pentyl-5-propylpyrimidine-2,4-diamine
CID 23394122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile (CID 161278055) is 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile is CCCNc1nc(Cl)nc2c1C(C#N)=CC2.
What is the InChIKey of 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The InChIKey is VERXOFRPJWZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-2-5-14-10-9-7(6-13)3-4-8(9)15-11(12)16-10/h3H,2,4-5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile has a molecular weight of 234.69 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 161278055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).