4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine

C15H21ClN2O2 — CID 116746454

IUPAC4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-19-15(6-8-20-9-7-15)14-17-12(10-13(16)18-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyCPDKWDGQSPVOGV-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.44
Rot. Bonds3

About 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine

4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine (PubChem CID 116746454) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
PubChem CID116746454
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-19-15(6-8-20-9-7-15)14-17-12(10-13(16)18-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyCPDKWDGQSPVOGV-UHFFFAOYSA-N
XLogP3.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.44
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-(4-methoxyoxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine (CID 116746454) is 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine is COC1(c2nc(Cl)cc(C3CCCC3)n2)CCOCC1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine?
The InChIKey is CPDKWDGQSPVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-19-15(6-8-20-9-7-15)14-17-12(10-13(16)18-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine?
4-chloro-6-cyclopentyl-2-(4-methoxyoxan-4-yl)pyrimidine has a molecular weight of 296.80 g/mol, XLogP of 3.44, 3 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-(4-methoxyoxan-4-yl)pyrimidine is sourced from PubChem (CID 116746454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).