4-amino-2-methoxy-1H-pyrimidin-6-one

C5H7N3O2 — CID 135404214

IUPAC4-amino-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChIKeyYRLXSZNYIJKRDL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.64
Rot. Bonds1

About 4-amino-2-methoxy-1H-pyrimidin-6-one

4-amino-2-methoxy-1H-pyrimidin-6-one (PubChem CID 135404214) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-amino-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methoxy-1H-pyrimidin-6-one
PubChem CID135404214
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-amino-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChIKeyYRLXSZNYIJKRDL-UHFFFAOYSA-N
XLogP-0.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
6-Amino-2-chloropyrimidin-4-OL
CID 135947952
2-Ethoxy-6-hydroxy-4(3H)-pyrimidinone
CID 10197799
Barbiturate(2-)
CID 25203186
N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide
CID 135968250
2-Methoxypyrimidin-4(3H)-one
CID 13698448
6-Hydroxy-2-methoxypyrimidin-4(3H)-one
CID 13754312
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
6-amino-2-bromo-3H-pyrimidin-4-one
CID 136320667
2-fluoro-4-methoxy-1H-pyrimidin-6-one
CID 129239113
Methyl 2-amino-1,6-dihydro-6-oxo-4-pyrimidinecarbamate
CID 135964809

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methoxy-1H-pyrimidin-6-one (CID 135404214) is 4-amino-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methoxy-1H-pyrimidin-6-one is COc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is YRLXSZNYIJKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 4-amino-2-methoxy-1H-pyrimidin-6-one?
4-amino-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135404214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).