4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H11ClN4 — CID 66118296

IUPAC4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cncc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3
InChIKeyJTRGUXJUXDSOIC-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.02
Rot. Bonds1

About 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66118296) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66118296
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cncc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3
InChIKeyJTRGUXJUXDSOIC-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66118296) is 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cn1cncc1-c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is JTRGUXJUXDSOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-16-6-13-5-9(16)11-14-8-4-2-3-7(8)10(12)15-11/h5-6H,2-4H2,1H3.
What are the key properties of 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66118296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).