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

C22H23FN4O — CID 109348193

IUPAC6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cc(C(=O)NCc2ccccc2F)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-20-12-19(25-14-26-20)21(28)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyPEFQGIWPQQOHER-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.59
Rot. Bonds5

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

6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348193) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348193
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cc(C(=O)NCc2ccccc2F)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-20-12-19(25-14-26-20)21(28)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyPEFQGIWPQQOHER-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348199
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
N-[(3-methylphenyl)methyl]-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347229
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348193) is 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is CC(C)(C)c1ccccc1Nc1cc(C(=O)NCc2ccccc2F)ncn1.
What is the InChIKey of 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PEFQGIWPQQOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-20-12-19(25-14-26-20)21(28)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).