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

C18H20N6O2 — CID 126945090

IUPAC3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnccc3=O)CC2)nc2cnccc2c1=O
InChIInChI=1S/C18H20N6O2/c1-22-17(26)14-2-6-19-10-15(14)21-18(22)23-8-4-13(5-9-23)11-24-12-20-7-3-16(24)25/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3
InChIKeyOBSWLXWQIJEMGR-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.80
Rot. Bonds3

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

3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126945090) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID126945090
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnccc3=O)CC2)nc2cnccc2c1=O
InChIInChI=1S/C18H20N6O2/c1-22-17(26)14-2-6-19-10-15(14)21-18(22)23-8-4-13(5-9-23)11-24-12-20-7-3-16(24)25/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3
InChIKeyOBSWLXWQIJEMGR-UHFFFAOYSA-N
XLogP0.80
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126944196
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944879
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126928072
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-methyl-2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126925989
2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126890774
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one (CID 126945090) is 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one is Cn1c(N2CCC(Cn3cnccc3=O)CC2)nc2cnccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OBSWLXWQIJEMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-22-17(26)14-2-6-19-10-15(14)21-18(22)23-8-4-13(5-9-23)11-24-12-20-7-3-16(24)25/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3.
What are the key properties of 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 352.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126945090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).