N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide

C15H17FN4O — CID 109310906

IUPACN,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)14(21)13-8-9-17-15(19-13)18-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyXCKUAYRUUXXIAF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.84
Rot. Bonds5

About N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide

N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109310906) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109310906
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)14(21)13-8-9-17-15(19-13)18-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyXCKUAYRUUXXIAF-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109312393
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310871
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109318480
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide (CID 109310906) is N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(Nc2cccc(F)c2)n1.
What is the InChIKey of N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is XCKUAYRUUXXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20(4-2)14(21)13-8-9-17-15(19-13)18-12-7-5-6-11(16)10-12/h5-10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).