N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide

C20H19FN4O — CID 109349543

IUPACN-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C20H19FN4O/c1-2-25(13-15-7-4-3-5-8-15)20(26)18-12-19(23-14-22-18)24-17-10-6-9-16(21)11-17/h3-12,14H,2,13H2,1H3,(H,22,23,24)
InChIKeyWEVKIACACDKCLS-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.02
Rot. Bonds6

About N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109349543) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109349543
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C20H19FN4O/c1-2-25(13-15-7-4-3-5-8-15)20(26)18-12-19(23-14-22-18)24-17-10-6-9-16(21)11-17/h3-12,14H,2,13H2,1H3,(H,22,23,24)
InChIKeyWEVKIACACDKCLS-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide (CID 109349543) is N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is WEVKIACACDKCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-25(13-15-7-4-3-5-8-15)20(26)18-12-19(23-14-22-18)24-17-10-6-9-16(21)11-17/h3-12,14H,2,13H2,1H3,(H,22,23,24).
What are the key properties of N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).