2-(methylamino)pyrimidine-5-carbaldehyde

C6H7N3O — CID 3160975

IUPAC2-(methylamino)pyrimidine-5-carbaldehyde
SMILESCNc1ncc(C=O)cn1
InChIInChI=1S/C6H7N3O/c1-7-6-8-2-5(4-10)3-9-6/h2-4H,1H3,(H,7,8,9)
InChIKeyFYDLRGFOAYUXIT-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.33
Rot. Bonds2

About 2-(methylamino)pyrimidine-5-carbaldehyde

2-(methylamino)pyrimidine-5-carbaldehyde (PubChem CID 3160975) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(methylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(methylamino)pyrimidine-5-carbaldehyde
PubChem CID3160975
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-(methylamino)pyrimidine-5-carbaldehyde
SMILESCNc1ncc(C=O)cn1
InChIInChI=1S/C6H7N3O/c1-7-6-8-2-5(4-10)3-9-6/h2-4H,1H3,(H,7,8,9)
InChIKeyFYDLRGFOAYUXIT-UHFFFAOYSA-N
XLogP0.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.33
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 2-(methylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(methylamino)pyrimidine-5-carbaldehyde (CID 3160975) is 2-(methylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(methylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(methylamino)pyrimidine-5-carbaldehyde is CNc1ncc(C=O)cn1.
What is the InChIKey of 2-(methylamino)pyrimidine-5-carbaldehyde?
The InChIKey is FYDLRGFOAYUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-7-6-8-2-5(4-10)3-9-6/h2-4H,1H3,(H,7,8,9).
What are the key properties of 2-(methylamino)pyrimidine-5-carbaldehyde?
2-(methylamino)pyrimidine-5-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 3160975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).