6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

C23H25FN4O — CID 109369902

IUPAC6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O/c1-15-26-20(22(29)25-14-16-5-9-18(24)10-6-16)13-21(27-15)28-19-11-7-17(8-12-19)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyCVSPXEUVORLWEM-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.90
Rot. Bonds5

About 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369902) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109369902
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN4O/c1-15-26-20(22(29)25-14-16-5-9-18(24)10-6-16)13-21(27-15)28-19-11-7-17(8-12-19)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyCVSPXEUVORLWEM-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371141
N-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370567
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
methyl 3-[[6-[(4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369929
6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109369902) is 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is CVSPXEUVORLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-26-20(22(29)25-14-16-5-9-18(24)10-6-16)13-21(27-15)28-19-11-7-17(8-12-19)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,29)(H,26,27,28).
What are the key properties of 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).