2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C12H20N4O — CID 136778290

IUPAC2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCNC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-15-11(7-12(17)16-10)14-9-4-5-13-8(2)6-9/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyKQMDDNHKIRPOON-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.88
Rot. Bonds3

About 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778290) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778290
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCNC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-15-11(7-12(17)16-10)14-9-4-5-13-8(2)6-9/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyKQMDDNHKIRPOON-UHFFFAOYSA-N
XLogP0.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(6-Methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 118929981
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2,6-Dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 55237814
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2,6-Dimethyl-3-piperidin-4-ylpyrimidin-4-one
CID 82105214
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
4-hydroxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462845
4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105480522
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778290) is 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCNC(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KQMDDNHKIRPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-15-11(7-12(17)16-10)14-9-4-5-13-8(2)6-9/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).