4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C12H15ClN2O2 — CID 106470680

IUPAC4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c1COCC2
InChIInChI=1S/C12H15ClN2O2/c13-11-9-7-17-6-3-10(9)14-12(15-11)8-1-4-16-5-2-8/h8H,1-7H2
InChIKeyAGCNBDJDMCZDLD-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.10
Rot. Bonds1

About 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470680) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470680
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c1COCC2
InChIInChI=1S/C12H15ClN2O2/c13-11-9-7-17-6-3-10(9)14-12(15-11)8-1-4-16-5-2-8/h8H,1-7H2
InChIKeyAGCNBDJDMCZDLD-UHFFFAOYSA-N
XLogP2.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470680) is 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(C2CCOCC2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is AGCNBDJDMCZDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-9-7-17-6-3-10(9)14-12(15-11)8-1-4-16-5-2-8/h8H,1-7H2.
What are the key properties of 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 254.72 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).