2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one

C19H20F2N6O2 — CID 126944196

IUPAC2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc2cnccc2c1=O
InChIInChI=1S/C19H20F2N6O2/c1-25-18(29)13-2-5-22-9-15(13)24-19(25)26-6-3-12(4-7-26)10-27-11-23-14(17(20)21)8-16(27)28/h2,5,8-9,11-12,17H,3-4,6-7,10H2,1H3
InChIKeyPOYCBOAMQIFLHN-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one

2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 126944196) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID126944196
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc2cnccc2c1=O
InChIInChI=1S/C19H20F2N6O2/c1-25-18(29)13-2-5-22-9-15(13)24-19(25)26-6-3-12(4-7-26)10-27-11-23-14(17(20)21)8-16(27)28/h2,5,8-9,11-12,17H,3-4,6-7,10H2,1H3
InChIKeyPOYCBOAMQIFLHN-UHFFFAOYSA-N
XLogP1.74
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
6-(difluoromethyl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943949
1,5-dimethyl-6-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126942431
6-(difluoromethyl)-3-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944130
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
3-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944124
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782
6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
6-(difluoromethyl)-3-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944070
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126941950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (CID 126944196) is 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is Cn1c(N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)nc2cnccc2c1=O.
What is the InChIKey of 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is POYCBOAMQIFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-25-18(29)13-2-5-22-9-15(13)24-19(25)26-6-3-12(4-7-26)10-27-11-23-14(17(20)21)8-16(27)28/h2,5,8-9,11-12,17H,3-4,6-7,10H2,1H3.
What are the key properties of 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 402.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126944196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).