2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C12H13ClF3N3O — CID 58415666

IUPAC2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCC(C)N1c2nc(Cl)ncc2CC(=O)C1CC(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c1-6(2)19-8(4-12(14,15)16)9(20)3-7-5-17-11(13)18-10(7)19/h5-6,8H,3-4H2,1-2H3
InChIKeyLOPZVTUPWMSWEW-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 58415666) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID58415666
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCC(C)N1c2nc(Cl)ncc2CC(=O)C1CC(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c1-6(2)19-8(4-12(14,15)16)9(20)3-7-5-17-11(13)18-10(7)19/h5-6,8H,3-4H2,1-2H3
InChIKeyLOPZVTUPWMSWEW-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 58405314
2-chloro-7-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 123997763
(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489843
2-chloro-7-ethylidene-5-methyl-8-propan-2-ylpteridin-6-one;2-chloro-7-ethylidene-8-propan-2-yl-5H-pyrido[2,3-d]pyrimidin-6-one;dimethyl carbonate
CID 158813714
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 175313862
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
CID 71603032
(6aS)-2-chloro-6a-(1,1,2,2,2-pentadeuterioethyl)-5,7,8,9-tetrahydropyrimido[4,5-e]indolizin-6-one
CID 58405752
7-chloro-4-cyclopropyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223347
1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
CID 158510317
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
CID 146195195

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 58415666) is 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CC(C)N1c2nc(Cl)ncc2CC(=O)C1CC(F)(F)F.
What is the InChIKey of 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is LOPZVTUPWMSWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c1-6(2)19-8(4-12(14,15)16)9(20)3-7-5-17-11(13)18-10(7)19/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 307.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58415666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).