5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one

C11H17N3O3 — CID 136964222

IUPAC5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-4-3-7(5-8)14-10-9(17-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyNKLLIAOYAGUMGE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.76
Rot. Bonds4

About 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136964222) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136964222
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-4-3-7(5-8)14-10-9(17-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyNKLLIAOYAGUMGE-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
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-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978592

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one (CID 136964222) is 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCC(OC)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NKLLIAOYAGUMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-8-4-3-7(5-8)14-10-9(17-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).