2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid

C8H11N3O3 — CID 175047619

IUPAC2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid
SMILESC=CC(=O)O.Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H7N3O.C3H4O2/c1-3-2-4(9)8-5(6)7-3;1-2-3(4)5/h2H,1H3,(H3,6,7,8,9);2H,1H2,(H,4,5)
InChIKeyZCNMXUYSPWZPBM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.08
Rot. Bonds1

About 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid

2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid (PubChem CID 175047619) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid
PubChem CID175047619
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid
SMILESC=CC(=O)O.Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C5H7N3O.C3H4O2/c1-3-2-4(9)8-5(6)7-3;1-2-3(4)5/h2H,1H3,(H3,6,7,8,9);2H,1H2,(H,4,5)
InChIKeyZCNMXUYSPWZPBM-UHFFFAOYSA-N
XLogP-0.08
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid?
The IUPAC name of 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid (CID 175047619) is 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid.
What is the SMILES notation for 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid?
The canonical SMILES for 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid is C=CC(=O)O.Cc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid?
The InChIKey is ZCNMXUYSPWZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C3H4O2/c1-3-2-4(9)8-5(6)7-3;1-2-3(4)5/h2H,1H3,(H3,6,7,8,9);2H,1H2,(H,4,5).
What are the key properties of 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid?
2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid is sourced from PubChem (CID 175047619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).