N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C14H14F2N4O — CID 109247233

IUPACN-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-4-3-10(15)5-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyFJAZHHHRZIOGLP-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.83
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247233) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247233
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-4-3-10(15)5-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyFJAZHHHRZIOGLP-UHFFFAOYSA-N
XLogP2.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266816
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242
N-(2,4-difluorophenyl)-6-propan-2-ylsulfanylpyridine-3-carboxamide
CID 1486221
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109269252
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
methyl 3-[[5-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270233
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247233) is N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is FJAZHHHRZIOGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-4-3-10(15)5-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).