2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

C9H9N5O — CID 165142431

IUPAC2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCn1cc(Nc2ncc(C=O)cn2)cn1
InChIInChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13)
InChIKeyFUXJVPDHNFNXDI-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.77
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (PubChem CID 165142431) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
PubChem CID165142431
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCn1cc(Nc2ncc(C=O)cn2)cn1
InChIInChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13)
InChIKeyFUXJVPDHNFNXDI-UHFFFAOYSA-N
XLogP0.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11344549, Example 18
CID 165112231
US11344549, Example 19
CID 165112232
US9579320, Example 189
CID 57471978
US11344549, Example 244
CID 138495176
US11344549, Example 8
CID 138495182
US11344549, Example 230
CID 138495187
US11344549, Example 239
CID 138495190
US11344549, Example 240
CID 138495208
US11344549, Example 10
CID 138495215
US11344549, Example 229
CID 138495218
US11344549, Example 242
CID 138495220
US11344549, Example 247
CID 138495221

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (CID 165142431) is 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is Cn1cc(Nc2ncc(C=O)cn2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is FUXJVPDHNFNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13).
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 165142431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).