N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide

C22H23FN4O — CID 109348315

IUPACN-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)17-6-4-5-7-18(17)27-21(28)19-12-20(26-14-25-19)24-13-15-8-10-16(23)11-9-15/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyRIDVCVRBKDAWJY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.78
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348315) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348315
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)17-6-4-5-7-18(17)27-21(28)19-12-20(26-14-25-19)24-13-15-8-10-16(23)11-9-15/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyRIDVCVRBKDAWJY-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

N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109348315) is N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is RIDVCVRBKDAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)17-6-4-5-7-18(17)27-21(28)19-12-20(26-14-25-19)24-13-15-8-10-16(23)11-9-15/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-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)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).