N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide

C19H26N4O — CID 109311340

IUPACN-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-6-13-9-8-10-14(7-2)16(13)22-18-20-12-11-15(21-18)17(24)23-19(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyBCHLPMRMOUIHST-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.87
Rot. Bonds5

About N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide

N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide (PubChem CID 109311340) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
PubChem CID109311340
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-6-13-9-8-10-14(7-2)16(13)22-18-20-12-11-15(21-18)17(24)23-19(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyBCHLPMRMOUIHST-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109311332
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306487
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109311338
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide (CID 109311340) is N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1nccc(C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The InChIKey is BCHLPMRMOUIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-13-9-8-10-14(7-2)16(13)22-18-20-12-11-15(21-18)17(24)23-19(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22).
What are the key properties of N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).