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

C14H12ClFN2O2 — CID 107922665

IUPAC4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCOc1cc(-c2nc(Cl)c3c(n2)CCOC3)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-19-12-6-8(2-3-10(12)16)14-17-11-4-5-20-7-9(11)13(15)18-14/h2-3,6H,4-5,7H2,1H3
InChIKeyWPUDVZJODLKELH-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.02
Rot. Bonds2

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

4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 107922665) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID107922665
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCOc1cc(-c2nc(Cl)c3c(n2)CCOC3)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-19-12-6-8(2-3-10(12)16)14-17-11-4-5-20-7-9(11)13(15)18-14/h2-3,6H,4-5,7H2,1H3
InChIKeyWPUDVZJODLKELH-UHFFFAOYSA-N
XLogP3.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 107922665) is 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is COc1cc(-c2nc(Cl)c3c(n2)CCOC3)ccc1F.
What is the InChIKey of 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is WPUDVZJODLKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-19-12-6-8(2-3-10(12)16)14-17-11-4-5-20-7-9(11)13(15)18-14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 294.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 107922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).