4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde

C6H7N3O2 — CID 123622154

IUPAC4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde
SMILESCc1cn(C=O)c(=O)nc1N
InChIInChI=1S/C6H7N3O2/c1-4-2-9(3-10)6(11)8-5(4)7/h2-3H,1H3,(H2,7,8,11)
InChIKeySEIJZAQMEZFLJH-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.83
Rot. Bonds1

About 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde

4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde (PubChem CID 123622154) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde
PubChem CID123622154
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde
SMILESCc1cn(C=O)c(=O)nc1N
InChIInChI=1S/C6H7N3O2/c1-4-2-9(3-10)6(11)8-5(4)7/h2-3H,1H3,(H2,7,8,11)
InChIKeySEIJZAQMEZFLJH-UHFFFAOYSA-N
XLogP-0.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde?
The IUPAC name of 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde (CID 123622154) is 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde.
What is the SMILES notation for 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde?
The canonical SMILES for 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde is Cc1cn(C=O)c(=O)nc1N.
What is the InChIKey of 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde?
The InChIKey is SEIJZAQMEZFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4-2-9(3-10)6(11)8-5(4)7/h2-3H,1H3,(H2,7,8,11).
What are the key properties of 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde?
4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde has a molecular weight of 153.14 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-oxopyrimidine-1-carbaldehyde is sourced from PubChem (CID 123622154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).