6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide

C21H28N4O — CID 112853019

IUPAC6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)NC2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-18-14-17(20(26)22-16-12-8-5-9-13-16)23-19(24-18)15-10-6-4-7-11-15/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDGHJUFYERWIOPM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds4

About 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853019) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112853019
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)NC2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-18-14-17(20(26)22-16-12-8-5-9-13-16)23-19(24-18)15-10-6-4-7-11-15/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDGHJUFYERWIOPM-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854311
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide (CID 112853019) is 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide is CC(C)(C)Nc1cc(C(=O)NC2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is DGHJUFYERWIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(2,3)25-18-14-17(20(26)22-16-12-8-5-9-13-16)23-19(24-18)15-10-6-4-7-11-15/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).