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

C13H12ClN3 — CID 59362915

IUPAC4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1ccc(-c2nc(Cl)c3c(n2)CCC3)cn1
InChIInChI=1S/C13H12ClN3/c1-8-5-6-9(7-15-8)13-16-11-4-2-3-10(11)12(14)17-13/h5-7H,2-4H2,1H3
InChIKeyKESBXEFWDBFPRZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.99
Rot. Bonds1

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

4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 59362915) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID59362915
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1ccc(-c2nc(Cl)c3c(n2)CCC3)cn1
InChIInChI=1S/C13H12ClN3/c1-8-5-6-9(7-15-8)13-16-11-4-2-3-10(11)12(14)17-13/h5-7H,2-4H2,1H3
InChIKeyKESBXEFWDBFPRZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 59362915) is 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1ccc(-c2nc(Cl)c3c(n2)CCC3)cn1.
What is the InChIKey of 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is KESBXEFWDBFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-8-5-6-9(7-15-8)13-16-11-4-2-3-10(11)12(14)17-13/h5-7H,2-4H2,1H3.
What are the key properties of 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 245.71 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59362915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).