4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one

C16H21N5O — CID 164663606

IUPAC4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESNCC1CCN(Cc2cc(=O)[nH]c(-c3cccnc3)n2)CC1
InChIInChI=1S/C16H21N5O/c17-9-12-3-6-21(7-4-12)11-14-8-15(22)20-16(19-14)13-2-1-5-18-10-13/h1-2,5,8,10,12H,3-4,6-7,9,11,17H2,(H,19,20,22)
InChIKeyPLUJVOQIEZYKOH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.00
Rot. Bonds4

About 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one

4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 164663606) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID164663606
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESNCC1CCN(Cc2cc(=O)[nH]c(-c3cccnc3)n2)CC1
InChIInChI=1S/C16H21N5O/c17-9-12-3-6-21(7-4-12)11-14-8-15(22)20-16(19-14)13-2-1-5-18-10-13/h1-2,5,8,10,12H,3-4,6-7,9,11,17H2,(H,19,20,22)
InChIKeyPLUJVOQIEZYKOH-UHFFFAOYSA-N
XLogP1.00
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673443
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
4-[1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765570
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136797459
4-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765581
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765709
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891759
trans-(1S,2S)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891760
2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673538
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 164663606) is 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one is NCC1CCN(Cc2cc(=O)[nH]c(-c3cccnc3)n2)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is PLUJVOQIEZYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-9-12-3-6-21(7-4-12)11-14-8-15(22)20-16(19-14)13-2-1-5-18-10-13/h1-2,5,8,10,12H,3-4,6-7,9,11,17H2,(H,19,20,22).
What are the key properties of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 299.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 164663606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).