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

C14H11ClF2N2O2 — CID 106470840

IUPAC4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)Oc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C14H11ClF2N2O2/c15-12-10-7-20-6-5-11(10)18-13(19-12)8-1-3-9(4-2-8)21-14(16)17/h1-4,14H,5-7H2
InChIKeyNTWQSIFGPDGOAI-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.47
Rot. Bonds3

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

4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470840) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470840
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)Oc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1
InChIInChI=1S/C14H11ClF2N2O2/c15-12-10-7-20-6-5-11(10)18-13(19-12)8-1-3-9(4-2-8)21-14(16)17/h1-4,14H,5-7H2
InChIKeyNTWQSIFGPDGOAI-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470840) is 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is FC(F)Oc1ccc(-c2nc(Cl)c3c(n2)CCOC3)cc1.
What is the InChIKey of 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is NTWQSIFGPDGOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-12-10-7-20-6-5-11(10)18-13(19-12)8-1-3-9(4-2-8)21-14(16)17/h1-4,14H,5-7H2.
What are the key properties of 4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-[4-(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-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).