2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide

C15H21N7O — CID 138495232

IUPAC2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O
InChIInChI=1S/C15H21N7O/c1-5-6-17-13-11(12(16)23)8-18-14(21-13)20-10-7-19-22(9-10)15(2,3)4/h5,7-9H,1,6H2,2-4H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyQRMGRQVHMUUSPQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.87
Rot. Bonds6

About 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide

2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 138495232) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID138495232
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O
InChIInChI=1S/C15H21N7O/c1-5-6-17-13-11(12(16)23)8-18-14(21-13)20-10-7-19-22(9-10)15(2,3)4/h5,7-9H,1,6H2,2-4H3,(H2,16,23)(H2,17,18,20,21)
InChIKeyQRMGRQVHMUUSPQ-UHFFFAOYSA-N
XLogP1.87
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)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-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 138495232) is 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is QRMGRQVHMUUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-5-6-17-13-11(12(16)23)8-18-14(21-13)20-10-7-19-22(9-10)15(2,3)4/h5,7-9H,1,6H2,2-4H3,(H2,16,23)(H2,17,18,20,21).
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide?
2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)amino]-4-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 138495232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).