2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C19H25F3N2O2 — CID 160944085

IUPAC2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)CC(=O)Cc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-18(2,3)10-12(25)9-13-15(11-6-7-11)23-16-14(19(20,21)22)5-4-8-24(16)17(13)26/h11,14H,4-10H2,1-3H3
InChIKeySUWPJGBICYETON-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 160944085) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID160944085
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)CC(=O)Cc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-18(2,3)10-12(25)9-13-15(11-6-7-11)23-16-14(19(20,21)22)5-4-8-24(16)17(13)26/h11,14H,4-10H2,1-3H3
InChIKeySUWPJGBICYETON-UHFFFAOYSA-N
XLogP4.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 160944085) is 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)(C)CC(=O)Cc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SUWPJGBICYETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-18(2,3)10-12(25)9-13-15(11-6-7-11)23-16-14(19(20,21)22)5-4-8-24(16)17(13)26/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,4-dimethyl-2-oxopentyl)-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160944085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).