5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C18H25N5O2 — CID 126941276

IUPAC5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3ccnc(=O)n3C)CC2)c(=O)c1C
InChIInChI=1S/C18H25N5O2/c1-13-14(2)20-12-23(17(13)24)10-15-5-8-22(9-6-15)11-16-4-7-19-18(25)21(16)3/h4,7,12,15H,5-6,8-11H2,1-3H3
InChIKeyXESQOQRBOHMVSP-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.87
Rot. Bonds4

About 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941276) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941276
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3ccnc(=O)n3C)CC2)c(=O)c1C
InChIInChI=1S/C18H25N5O2/c1-13-14(2)20-12-23(17(13)24)10-15-5-8-22(9-6-15)11-16-4-7-19-18(25)21(16)3/h4,7,12,15H,5-6,8-11H2,1-3H3
InChIKeyXESQOQRBOHMVSP-UHFFFAOYSA-N
XLogP0.87
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941297
5,6-dimethyl-3-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941307
3-[[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941294
5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
3-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941323
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941192
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941342
3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941234
5,6-dimethyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941334
3-[[1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941448
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941276) is 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(Cc3ccnc(=O)n3C)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XESQOQRBOHMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-14(2)20-12-23(17(13)24)10-15-5-8-22(9-6-15)11-16-4-7-19-18(25)21(16)3/h4,7,12,15H,5-6,8-11H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).