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

C14H11ClF2N2O2 — CID 106470800

IUPAC4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)Oc1ccccc1-c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C14H11ClF2N2O2/c15-12-9-7-20-6-5-10(9)18-13(19-12)8-3-1-2-4-11(8)21-14(16)17/h1-4,14H,5-7H2
InChIKeyKPJLXKMAKRWGRD-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.47
Rot. Bonds3

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

4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470800) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470800
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)Oc1ccccc1-c1nc(Cl)c2c(n1)CCOC2
InChIInChI=1S/C14H11ClF2N2O2/c15-12-9-7-20-6-5-10(9)18-13(19-12)8-3-1-2-4-11(8)21-14(16)17/h1-4,14H,5-7H2
InChIKeyKPJLXKMAKRWGRD-UHFFFAOYSA-N
XLogP3.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.47
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-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
CID 51049656
4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
CID 46865092
N-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-amine
CID 16017056
4-Chloro-6-(4-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 145989061
2,4-Dichloro-5-methoxyquinazoline
CID 12320019
4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-amine
CID 16017022
4-(4-Chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 54581560
4-(5-Chloro-2-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 71449646
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791727
2-Phenyl-4-(trifluoromethyl)spiro[chromeno[4,3-d]pyrimidine-5,1'-cyclopentane]
CID 137636905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470800) is 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is FC(F)Oc1ccccc1-c1nc(Cl)c2c(n1)CCOC2.
What is the InChIKey of 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is KPJLXKMAKRWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-12-9-7-20-6-5-10(9)18-13(19-12)8-3-1-2-4-11(8)21-14(16)17/h1-4,14H,5-7H2.
What are the key properties of 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 312.70 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).