5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136867389

IUPAC5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-3-4-9(5-8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyAWBRDZNQMXSQLP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds4

About 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867389) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867389
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-3-4-9(5-8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyAWBRDZNQMXSQLP-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786656
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867389) is 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AWBRDZNQMXSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-4-9(5-8)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).