4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 136956289

IUPAC4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCCC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-16-6-4-5-10(8-16)15-11-7-12(17)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyGPXGARCSRMQGLW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds3

About 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956289) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956289
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCCC(Nc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-16-6-4-5-10(8-16)15-11-7-12(17)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyGPXGARCSRMQGLW-UHFFFAOYSA-N
XLogP0.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-(difluoromethyl)-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136171481
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
N-[(E)-3-imino-1-(methylamino)-3-[methyl-[(3S)-piperidin-3-yl]amino]prop-1-enyl]acetamide
CID 136412361
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
(7E)-8-(methylaminomethyl)-5-methylimino-2,6,10,14,19-pentazatricyclo[12.3.1.13,7]nonadeca-3,7-diene-9,13-dione
CID 155701224

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956289) is 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is CCN1CCCC(Nc2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GPXGARCSRMQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-6-4-5-10(8-16)15-11-7-12(17)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).