1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one

C17H13F2N3O — CID 134810982

IUPAC1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C17H13F2N3O/c18-11-3-4-12(13(19)7-11)14-5-6-15-16(21-14)17(23)20-9-22(15)8-10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyRXURAYMWXKRPAG-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.15
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one

1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810982) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810982
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C17H13F2N3O/c18-11-3-4-12(13(19)7-11)14-5-6-15-16(21-14)17(23)20-9-22(15)8-10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyRXURAYMWXKRPAG-UHFFFAOYSA-N
XLogP3.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid tert-butyl-methyl-amide
CID 90203577
6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
3-Amino-6-(3,6-dihydro-2H-pyran-4-yl)pyridine-2-carboxamide
CID 127040262
3-Benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one
CID 134805251
3-Cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805621
3-(2,4-Difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805921
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
CID 134808652
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
6-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810828
6-(4-Fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810843

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810982) is 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is RXURAYMWXKRPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-11-3-4-12(13(19)7-11)14-5-6-15-16(21-14)17(23)20-9-22(15)8-10-1-2-10/h3-7,9-10H,1-2,8H2.
What are the key properties of 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 313.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).