2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H13F2N3O — CID 122461299

IUPAC2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2cc(F)cc(F)c2)nc2c1CNCC2
InChIInChI=1S/C14H13F2N3O/c1-20-14-11-7-17-3-2-12(11)18-13(19-14)8-4-9(15)6-10(16)5-8/h4-6,17H,2-3,7H2,1H3
InChIKeyYYYXCMYFLIYBPR-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.08
Rot. Bonds2

About 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 122461299) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID122461299
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(-c2cc(F)cc(F)c2)nc2c1CNCC2
InChIInChI=1S/C14H13F2N3O/c1-20-14-11-7-17-3-2-12(11)18-13(19-14)8-4-9(15)6-10(16)5-8/h4-6,17H,2-3,7H2,1H3
InChIKeyYYYXCMYFLIYBPR-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 122461299) is 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1nc(-c2cc(F)cc(F)c2)nc2c1CNCC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is YYYXCMYFLIYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-20-14-11-7-17-3-2-12(11)18-13(19-14)8-4-9(15)6-10(16)5-8/h4-6,17H,2-3,7H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 277.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122461299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).