2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H23FN4O — CID 109305558

IUPAC2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-14(2)18-6-4-5-15(3)20(18)27-21(28)19-11-12-24-22(26-19)25-13-16-7-9-17(23)10-8-16/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyRSSDBDURHGDONY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.91
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109305558) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109305558
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-14(2)18-6-4-5-15(3)20(18)27-21(28)19-11-12-24-22(26-19)25-13-16-7-9-17(23)10-8-16/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyRSSDBDURHGDONY-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307573
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260147
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312897
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109305558) is 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RSSDBDURHGDONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14(2)18-6-4-5-15(3)20(18)27-21(28)19-11-12-24-22(26-19)25-13-16-7-9-17(23)10-8-16/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).