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

C11H18N4O2 — CID 136778289

IUPAC5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCNC(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-5-8(3-4-12-7)15-10-9(17-2)11(16)14-6-13-10/h6-8,12H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyFIGXXLSKZQIKDO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.33
Rot. Bonds3

About 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778289) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778289
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCNC(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-5-8(3-4-12-7)15-10-9(17-2)11(16)14-6-13-10/h6-8,12H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyFIGXXLSKZQIKDO-UHFFFAOYSA-N
XLogP0.33
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
2,4-dimethyl-6-[(2-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
CID 106996196
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778289) is 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCNC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FIGXXLSKZQIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-5-8(3-4-12-7)15-10-9(17-2)11(16)14-6-13-10/h6-8,12H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).