2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide

C15H16F2N4O — CID 109262459

IUPAC2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H16F2N4O/c1-3-21(4-2)14(22)10-8-18-15(19-9-10)20-11-5-6-12(16)13(17)7-11/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMTIMBFVHHLBNFD-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.98
Rot. Bonds5

About 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide

2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262459) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262459
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H16F2N4O/c1-3-21(4-2)14(22)10-8-18-15(19-9-10)20-11-5-6-12(16)13(17)7-11/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMTIMBFVHHLBNFD-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262433
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253477
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide (CID 109262459) is 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is MTIMBFVHHLBNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-3-21(4-2)14(22)10-8-18-15(19-9-10)20-11-5-6-12(16)13(17)7-11/h5-9H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide?
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).