6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide

C23H26N4O — CID 112854288

IUPAC6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-5-27(18-14-10-7-11-15-18)22(28)19-16-20(26-23(2,3)4)25-21(24-19)17-12-8-6-9-13-17/h6-16H,5H2,1-4H3,(H,24,25,26)
InChIKeyCSGGHMSOERNZEE-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.02
Rot. Bonds5

About 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide (PubChem CID 112854288) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
PubChem CID112854288
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-5-27(18-14-10-7-11-15-18)22(28)19-16-20(26-23(2,3)4)25-21(24-19)17-12-8-6-9-13-17/h6-16H,5H2,1-4H3,(H,24,25,26)
InChIKeyCSGGHMSOERNZEE-UHFFFAOYSA-N
XLogP5.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472
6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 112854178
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854311
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide (CID 112854288) is 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide?
The InChIKey is CSGGHMSOERNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(18-14-10-7-11-15-18)22(28)19-16-20(26-23(2,3)4)25-21(24-19)17-12-8-6-9-13-17/h6-16H,5H2,1-4H3,(H,24,25,26).
What are the key properties of 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).