2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C20H19FN4O2 — CID 109268408

IUPAC2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C20H19FN4O2/c1-13(2)27-18-10-6-5-9-17(18)24-19(26)14-11-22-20(23-12-14)25-16-8-4-3-7-15(16)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyBZVMOKNKVUBKDH-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109268408) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109268408
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C20H19FN4O2/c1-13(2)27-18-10-6-5-9-17(18)24-19(26)14-11-22-20(23-12-14)25-16-8-4-3-7-15(16)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyBZVMOKNKVUBKDH-UHFFFAOYSA-N
XLogP4.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257339
N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109256962
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082
N-(5-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269010
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109268408) is 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is BZVMOKNKVUBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13(2)27-18-10-6-5-9-17(18)24-19(26)14-11-22-20(23-12-14)25-16-8-4-3-7-15(16)21/h3-13H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).