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

C17H23N5O — CID 126941297

IUPAC5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3cncnc3)CC2)c(=O)c1C
InChIInChI=1S/C17H23N5O/c1-13-14(2)20-12-22(17(13)23)10-15-3-5-21(6-4-15)9-16-7-18-11-19-8-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyZYGDAVORLHVEIZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.56
Rot. Bonds4

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

5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941297) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941297
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(Cc3cncnc3)CC2)c(=O)c1C
InChIInChI=1S/C17H23N5O/c1-13-14(2)20-12-22(17(13)23)10-15-3-5-21(6-4-15)9-16-7-18-11-19-8-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyZYGDAVORLHVEIZ-UHFFFAOYSA-N
XLogP1.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
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-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941323
5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941276
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-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941294
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-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941192
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461
3-[[1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941448
2-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862913

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941297) is 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(Cc3cncnc3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZYGDAVORLHVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-14(2)20-12-22(17(13)23)10-15-3-5-21(6-4-15)9-16-7-18-11-19-8-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).