2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide

C16H25N7O — CID 165112228

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide
SMILESCCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C16H25N7O/c1-3-5-6-7-8-18-15-13(14(17)24)10-19-16(22-15)21-12-9-20-23(4-2)11-12/h9-11H,3-8H2,1-2H3,(H2,17,24)(H2,18,19,21,22)
InChIKeyAJZUEWKISNZIHN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.53
Rot. Bonds10

About 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide (PubChem CID 165112228) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide
PubChem CID165112228
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide
SMILESCCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C16H25N7O/c1-3-5-6-7-8-18-15-13(14(17)24)10-19-16(22-15)21-12-9-20-23(4-2)11-12/h9-11H,3-8H2,1-2H3,(H2,17,24)(H2,18,19,21,22)
InChIKeyAJZUEWKISNZIHN-UHFFFAOYSA-N
XLogP2.53
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide (CID 165112228) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide is CCCCCCNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide?
The InChIKey is AJZUEWKISNZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-5-6-7-8-18-15-13(14(17)24)10-19-16(22-15)21-12-9-20-23(4-2)11-12/h9-11H,3-8H2,1-2H3,(H2,17,24)(H2,18,19,21,22).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(hexylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).