N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109336679

IUPACN-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H23FN4O/c1-14-13-19(27-21(24-14)26-18-12-8-6-10-16(18)23)20(28)25-17-11-7-5-9-15(17)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyKLYRIVDJUJBLEH-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.22
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336679) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336679
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H23FN4O/c1-14-13-19(27-21(24-14)26-18-12-8-6-10-16(18)23)20(28)25-17-11-7-5-9-15(17)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyKLYRIVDJUJBLEH-UHFFFAOYSA-N
XLogP5.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-(2,4-difluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336685
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336824
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
N-(4-fluorophenyl)-6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109336915
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (CID 109336679) is N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(Nc2ccccc2F)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KLYRIVDJUJBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-13-19(27-21(24-14)26-18-12-8-6-10-16(18)23)20(28)25-17-11-7-5-9-15(17)22(2,3)4/h5-13H,1-4H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.22, 4 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-fluoroanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).