4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine

C14H13Cl2N3 — CID 112569415

IUPAC4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
SMILESClc1nc(-c2ccccn2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H13Cl2N3/c15-12-11(9-5-1-2-6-9)13(16)19-14(18-12)10-7-3-4-8-17-10/h3-4,7-9H,1-2,5-6H2
InChIKeyTXGGMMIQWNVVFV-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.50
Rot. Bonds2

About 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine (PubChem CID 112569415) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.18 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
PubChem CID112569415
Molecular FormulaC14H13Cl2N3
Molecular Weight294.18 g/mol
Exact Mass293.05
IUPAC Name4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
SMILESClc1nc(-c2ccccn2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H13Cl2N3/c15-12-11(9-5-1-2-6-9)13(16)19-14(18-12)10-7-3-4-8-17-10/h3-4,7-9H,1-2,5-6H2
InChIKeyTXGGMMIQWNVVFV-UHFFFAOYSA-N
XLogP4.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
CID 115926418
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
4-cyclohexyl-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 63867915
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
CID 114488377
CID 139150015
CID 139150015
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine (CID 112569415) is 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine is Clc1nc(-c2ccccn2)nc(Cl)c1C1CCCC1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine?
The InChIKey is TXGGMMIQWNVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c15-12-11(9-5-1-2-6-9)13(16)19-14(18-12)10-7-3-4-8-17-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine has a molecular weight of 294.18 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 112569415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).