6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one

C13H13F2N3O — CID 164918768

IUPAC6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H13F2N3O/c1-6-8-5-9(13(3-4-13)12(14)15)11(19)18-10(8)17-7(2)16-6/h5,12H,3-4H2,1-2H3,(H,16,17,18,19)
InChIKeyOQCCITYUFSZWLQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.23
Rot. Bonds2

About 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one

6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 164918768) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID164918768
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H13F2N3O/c1-6-8-5-9(13(3-4-13)12(14)15)11(19)18-10(8)17-7(2)16-6/h5,12H,3-4H2,1-2H3,(H,16,17,18,19)
InChIKeyOQCCITYUFSZWLQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164918519
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
2,4,5-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134987193
2,4-bis(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 172416564
2-Amino-4-methylpyrido[2,3-D]pyrimidin-7(8H)-one
CID 44713836
2,4-diethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 139618473
2-ethyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141302006
2-amino-4,6-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 147087626
4-ethyl-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 159290945
1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile
CID 164919058
1-(2,3,4-trimethyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-3-ium-6-yl)cyclopropane-1-carbonitrile
CID 164919106

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 164918768) is 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1.
What is the InChIKey of 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OQCCITYUFSZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-6-8-5-9(13(3-4-13)12(14)15)11(19)18-10(8)17-7(2)16-6/h5,12H,3-4H2,1-2H3,(H,16,17,18,19).
What are the key properties of 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 265.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 164918768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).