2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide

C19H29N7O — CID 138495191

IUPAC2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)C/C=C/CNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O
InChIInChI=1S/C19H29N7O/c1-13(2)8-6-7-9-21-17-15(16(20)27)11-22-18(25-17)24-14-10-23-26(12-14)19(3,4)5/h6-7,10-13H,8-9H2,1-5H3,(H2,20,27)(H2,21,22,24,25)/b7-6+
InChIKeyDNRZXVWWLXAPAE-VOTSOKGWSA-N
MW371.49 g/mol
LogP3.28
Rot. Bonds8

About 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide

2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide (PubChem CID 138495191) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide
PubChem CID138495191
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)C/C=C/CNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O
InChIInChI=1S/C19H29N7O/c1-13(2)8-6-7-9-21-17-15(16(20)27)11-22-18(25-17)24-14-10-23-26(12-14)19(3,4)5/h6-7,10-13H,8-9H2,1-5H3,(H2,20,27)(H2,21,22,24,25)/b7-6+
InChIKeyDNRZXVWWLXAPAE-VOTSOKGWSA-N
XLogP3.28
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.28
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-[[(E)-5-methylhex-2-enyl]amino]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

Related Compounds

4-[[(1R,2R,3S,4S)-3-carbamoyl-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 68780376
US11344549, Example 233
CID 148869096
US11344549, Example 235
CID 149003214
US11344549, Example 18
CID 165112231
US11344549, Example 19
CID 165112232
US11344549, Example 29
CID 165112242
US11344549, Example 30
CID 165112243
US9579320, Example 189
CID 57471978
US10118930, Example 84
CID 137251821
US11344549, Example 244
CID 138495176
US11344549, Example 230
CID 138495187
US11344549, Example 248
CID 138495189

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide (CID 138495191) is 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide is CC(C)C/C=C/CNc1nc(Nc2cnn(C(C)(C)C)c2)ncc1C(N)=O.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide?
The InChIKey is DNRZXVWWLXAPAE-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13(2)8-6-7-9-21-17-15(16(20)27)11-22-18(25-17)24-14-10-23-26(12-14)19(3,4)5/h6-7,10-13H,8-9H2,1-5H3,(H2,20,27)(H2,21,22,24,25)/b7-6+.
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide?
2-[(1-tert-butylpyrazol-4-yl)amino]-4-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.28, 8 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-[[(E)-5-methylhex-2-enyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 138495191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).