N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide

C22H23FN4O — CID 109257067

IUPACN-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)17-9-5-7-11-19(17)27-20(28)16-13-25-21(26-14-16)24-12-15-8-4-6-10-18(15)23/h4-11,13-14H,12H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeySBMMIEMJYUPBSU-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.78
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109257067) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109257067
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)17-9-5-7-11-19(17)27-20(28)16-13-25-21(26-14-16)24-12-15-8-4-6-10-18(15)23/h4-11,13-14H,12H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeySBMMIEMJYUPBSU-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(2-tert-butylphenyl)-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268205

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide (CID 109257067) is N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is SBMMIEMJYUPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)17-9-5-7-11-19(17)27-20(28)16-13-25-21(26-14-16)24-12-15-8-4-6-10-18(15)23/h4-11,13-14H,12H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).