4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C13H17ClN2O — CID 106470514

IUPAC4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2CCCCC2)nc2c1COCC2
InChIInChI=1S/C13H17ClN2O/c14-12-10-8-17-7-6-11(10)15-13(16-12)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZDYUBUOIQDOJFP-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.25
Rot. Bonds1

About 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470514) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470514
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2CCCCC2)nc2c1COCC2
InChIInChI=1S/C13H17ClN2O/c14-12-10-8-17-7-6-11(10)15-13(16-12)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZDYUBUOIQDOJFP-UHFFFAOYSA-N
XLogP3.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclobutyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470620
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680
4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 59362936
4-chloro-2-cyclobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 64981889
4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470623
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62386841
4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83190798
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470514) is 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(C2CCCCC2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is ZDYUBUOIQDOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-10-8-17-7-6-11(10)15-13(16-12)9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 252.74 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).