4-amino-2-methylpyrimidine-5-carbaldehyde

C6H7N3O — CID 12904726

IUPAC4-amino-2-methylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3,(H2,7,8,9)
InChIKeyNOHYIPRJOCCNMG-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.18
Rot. Bonds1

About 4-amino-2-methylpyrimidine-5-carbaldehyde

4-amino-2-methylpyrimidine-5-carbaldehyde (PubChem CID 12904726) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-amino-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-methylpyrimidine-5-carbaldehyde
PubChem CID12904726
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4-amino-2-methylpyrimidine-5-carbaldehyde
SMILESCc1ncc(C=O)c(N)n1
InChIInChI=1S/C6H7N3O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3,(H2,7,8,9)
InChIKeyNOHYIPRJOCCNMG-UHFFFAOYSA-N
XLogP0.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-2-methylpyrimidine-5-carbaldehyde (CID 12904726) is 4-amino-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-2-methylpyrimidine-5-carbaldehyde is Cc1ncc(C=O)c(N)n1.
What is the InChIKey of 4-amino-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is NOHYIPRJOCCNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3,(H2,7,8,9).
What are the key properties of 4-amino-2-methylpyrimidine-5-carbaldehyde?
4-amino-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 12904726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).