3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C17H23N5O2 — CID 126941234

IUPAC3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ccnc(N2CCC(Cn3cnc(C)c(C)c3=O)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-13(2)19-11-22(16(12)23)10-14-5-8-21(9-6-14)17-18-7-4-15(20-17)24-3/h4,7,11,14H,5-6,8-10H2,1-3H3
InChIKeyWSZMGLVBMWAGDW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.58
Rot. Bonds4

About 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941234) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941234
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ccnc(N2CCC(Cn3cnc(C)c(C)c3=O)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-13(2)19-11-22(16(12)23)10-14-5-8-21(9-6-14)17-18-7-4-15(20-17)24-3/h4,7,11,14H,5-6,8-10H2,1-3H3
InChIKeyWSZMGLVBMWAGDW-UHFFFAOYSA-N
XLogP1.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940770
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
3-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941429
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-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941167
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941481
3-[[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941294
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
3-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940763
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941234) is 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is COc1ccnc(N2CCC(Cn3cnc(C)c(C)c3=O)CC2)n1.
What is the InChIKey of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is WSZMGLVBMWAGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-13(2)19-11-22(16(12)23)10-14-5-8-21(9-6-14)17-18-7-4-15(20-17)24-3/h4,7,11,14H,5-6,8-10H2,1-3H3.
What are the key properties of 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).