3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one

C19H23F2N5O — CID 126943960

IUPAC3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESCc1cc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H23F2N5O/c1-12-8-16(24-19(23-12)14-2-3-14)25-6-4-13(5-7-25)10-26-11-22-15(18(20)21)9-17(26)27/h8-9,11,13-14,18H,2-7,10H2,1H3
InChIKeyDMZRDARQXNLLSW-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.07
Rot. Bonds5

About 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one

3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (PubChem CID 126943960) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
PubChem CID126943960
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESCc1cc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H23F2N5O/c1-12-8-16(24-19(23-12)14-2-3-14)25-6-4-13(5-7-25)10-26-11-22-15(18(20)21)9-17(26)27/h8-9,11,13-14,18H,2-7,10H2,1H3
InChIKeyDMZRDARQXNLLSW-UHFFFAOYSA-N
XLogP3.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one with MolForge

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Related Compounds

1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpyridin-2(1H)-one
CID 15949564
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)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 10457955
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclopropylpyrimidin-2(1H)-one
CID 44406983
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(trifluoromethyl)pyridin-2(1H)-one
CID 44409606
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 44409704
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-methylpyridin-2(1H)-one
CID 44409726
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-6-methylpyridin-2(1H)-one
CID 44409888
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-chloropyridin-2(1H)-one
CID 44409925
2-(Cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775298
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631441

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (CID 126943960) is 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is Cc1cc(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc(C2CC2)n1.
What is the InChIKey of 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The InChIKey is DMZRDARQXNLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-12-8-16(24-19(23-12)14-2-3-14)25-6-4-13(5-7-25)10-26-11-22-15(18(20)21)9-17(26)27/h8-9,11,13-14,18H,2-7,10H2,1H3.
What are the key properties of 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one has a molecular weight of 375.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).