4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine

C13H13ClN4 — CID 113390238

IUPAC4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
SMILESClc1cc(C2CCCC2)nc(-c2ccncn2)n1
InChIInChI=1S/C13H13ClN4/c14-12-7-11(9-3-1-2-4-9)17-13(18-12)10-5-6-15-8-16-10/h5-9H,1-4H2
InChIKeyHHPOWUULPUJTNR-UHFFFAOYSA-N
MW260.73 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine

4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine (PubChem CID 113390238) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
PubChem CID113390238
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
SMILESClc1cc(C2CCCC2)nc(-c2ccncn2)n1
InChIInChI=1S/C13H13ClN4/c14-12-7-11(9-3-1-2-4-9)17-13(18-12)10-5-6-15-8-16-10/h5-9H,1-4H2
InChIKeyHHPOWUULPUJTNR-UHFFFAOYSA-N
XLogP3.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine (CID 113390238) is 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine is Clc1cc(C2CCCC2)nc(-c2ccncn2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine?
The InChIKey is HHPOWUULPUJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-12-7-11(9-3-1-2-4-9)17-13(18-12)10-5-6-15-8-16-10/h5-9H,1-4H2.
What are the key properties of 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine?
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine has a molecular weight of 260.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 113390238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).