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

C14H12ClFN2O2 — CID 106470766

IUPAC4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-19-12-3-2-8(6-10(12)16)14-17-11-4-5-20-7-9(11)13(15)18-14/h2-3,6H,4-5,7H2,1H3
InChIKeyLVZGMIGMNKAGDY-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.02
Rot. Bonds2

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

4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470766) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470766
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCOc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-19-12-3-2-8(6-10(12)16)14-17-11-4-5-20-7-9(11)13(15)18-14/h2-3,6H,4-5,7H2,1H3
InChIKeyLVZGMIGMNKAGDY-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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Related Compounds

4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480507
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
CID 46865092
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)oxy)phenyl)ethanol
CID 90112840
Sigma-1 receptor antagonist 2
CID 118723361
4-Chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 24743460
5-Butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 88924813
4-Chloro-6-(4-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 145989061
4-Chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
4-Chloro-6-methoxy-2-methylquinazoline
CID 12277602
4-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazoline
CID 12449088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470766) is 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is COc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1F.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is LVZGMIGMNKAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-19-12-3-2-8(6-10(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-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(3-fluoro-4-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-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).