2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C20H20F2N6O — CID 154829247

IUPAC2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc2ccccn12
InChIInChI=1S/C20H20F2N6O/c21-19(22)14-11-16(25-20(23-14)13-4-5-13)26-7-9-27(10-8-26)17-12-18(29)28-6-2-1-3-15(28)24-17/h1-3,6,11-13,19H,4-5,7-10H2
InChIKeySITYTYZQVYNABV-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154829247) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID154829247
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc2ccccn12
InChIInChI=1S/C20H20F2N6O/c21-19(22)14-11-16(25-20(23-14)13-4-5-13)26-7-9-27(10-8-26)17-12-18(29)28-6-2-1-3-15(28)24-17/h1-3,6,11-13,19H,4-5,7-10H2
InChIKeySITYTYZQVYNABV-UHFFFAOYSA-N
XLogP2.63
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

A-690344
CID 9806160
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyridin-2(1H)-one
CID 15949564
4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 9983212
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(trifluoromethyl)pyrimidin-2(1H)-one
CID 9983667
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 10027629
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 10252580
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyrimidin-2(1H)-one
CID 10253333
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
CID 10390058
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxypyrimidin-2(1H)-one
CID 10456628
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 10457955
4-(azetidin-1-yl)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 44406885
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(piperidin-1-yl)pyrimidin-2(1H)-one
CID 44406886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 154829247) is 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SITYTYZQVYNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c21-19(22)14-11-16(25-20(23-14)13-4-5-13)26-7-9-27(10-8-26)17-12-18(29)28-6-2-1-3-15(28)24-17/h1-3,6,11-13,19H,4-5,7-10H2.
What are the key properties of 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 398.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154829247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).