2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C21H21FN4O2 — CID 109257339

IUPAC2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C21H21FN4O2/c1-14(2)28-19-6-4-3-5-18(19)26-20(27)16-12-24-21(25-13-16)23-11-15-7-9-17(22)10-8-15/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyUDOYDAUXBKZOOI-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.27
Rot. Bonds7

About 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109257339) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109257339
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C21H21FN4O2/c1-14(2)28-19-6-4-3-5-18(19)26-20(27)16-12-24-21(25-13-16)23-11-15-7-9-17(22)10-8-15/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyUDOYDAUXBKZOOI-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155845
N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109256962
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109257339) is 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is UDOYDAUXBKZOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(2)28-19-6-4-3-5-18(19)26-20(27)16-12-24-21(25-13-16)23-11-15-7-9-17(22)10-8-15/h3-10,12-14H,11H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).