2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

C21H21FN4O — CID 109257062

IUPAC2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C21H21FN4O/c1-14(2)17-8-4-6-10-19(17)26-20(27)16-12-24-21(25-13-16)23-11-15-7-3-5-9-18(15)22/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyQOBRJJAOHJJOJM-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.60
Rot. Bonds6

About 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109257062) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109257062
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C21H21FN4O/c1-14(2)17-8-4-6-10-19(17)26-20(27)16-12-24-21(25-13-16)23-11-15-7-3-5-9-18(15)22/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyQOBRJJAOHJJOJM-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109119228
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109257062) is 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is QOBRJJAOHJJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(2)17-8-4-6-10-19(17)26-20(27)16-12-24-21(25-13-16)23-11-15-7-3-5-9-18(15)22/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).