2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 105440521

IUPAC2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCN)[nH]c(=O)c1C
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9)11-8(5)13-2/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeySENLXDWTPWFRKL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.41
Rot. Bonds3

About 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105440521) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105440521
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCN)[nH]c(=O)c1C
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9)11-8(5)13-2/h3-4,9H2,1-2H3,(H,10,11,12)
InChIKeySENLXDWTPWFRKL-UHFFFAOYSA-N
XLogP-0.41
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 12945283
2-(2-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553917
2-(2-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63554281
2-(3-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554639
2-(2-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554646
2-(1-aminopropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555179
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
4-hydroxy-2-(2-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 63611760
2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612609
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
2-(aminomethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105434063
2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one
CID 105434066

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105440521) is 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(CCN)[nH]c(=O)c1C.
What is the InChIKey of 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SENLXDWTPWFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9)11-8(5)13-2/h3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105440521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).