2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one

C16H20N4O — CID 136715602

IUPAC2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(Cc3ccncc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O/c1-12-18-15(10-16(21)19-12)14-4-8-20(9-5-14)11-13-2-6-17-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,18,19,21)
InChIKeyZAQYBGMBUUXUEZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136715602) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136715602
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(Cc3ccncc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O/c1-12-18-15(10-16(21)19-12)14-4-8-20(9-5-14)11-13-2-6-17-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,18,19,21)
InChIKeyZAQYBGMBUUXUEZ-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804053
2-methyl-4-[(3R)-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136763695
2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate
CID 135990778
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417
2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
CID 136697560
4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765591
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136715602) is 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(Cc3ccncc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is ZAQYBGMBUUXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-18-15(10-16(21)19-12)14-4-8-20(9-5-14)11-13-2-6-17-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,18,19,21).
What are the key properties of 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136715602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).