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

C7H11N3O2 — CID 105434066

IUPAC2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CCN)n1
InChIInChI=1S/C7H11N3O2/c1-12-7-4-6(11)9-5(10-7)2-3-8/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeySODLVVGQJSIONH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.72
Rot. Bonds3

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

2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one (PubChem CID 105434066) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one
PubChem CID105434066
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CCN)n1
InChIInChI=1S/C7H11N3O2/c1-12-7-4-6(11)9-5(10-7)2-3-8/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeySODLVVGQJSIONH-UHFFFAOYSA-N
XLogP-0.72
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-(4-Hydroxypyrimidin-2-YL)ethanamine
CID 18768454
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
2-tert-Butyl-6-methoxypyrimidin-4(3H)-one
CID 14279696
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
4-methoxy-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 89301087

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one (CID 105434066) is 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is SODLVVGQJSIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-7-4-6(11)9-5(10-7)2-3-8/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one?
2-(2-aminoethyl)-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.72, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 105434066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).