6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109339917

IUPAC6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O/c1-5-6-11-20-17-12-16(21-13-22-17)18(24)23-15-9-7-14(8-10-15)19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyOTAWRMJAXAXJAO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds6

About 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide

6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide (PubChem CID 109339917) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
PubChem CID109339917
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C19H26N4O/c1-5-6-11-20-17-12-16(21-13-22-17)18(24)23-15-9-7-14(8-10-15)19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyOTAWRMJAXAXJAO-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-(butylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109339977
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide (CID 109339917) is 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OTAWRMJAXAXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-11-20-17-12-16(21-13-22-17)18(24)23-15-9-7-14(8-10-15)19(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).