6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

C15H17FN4O — CID 109353352

IUPAC6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyWVORVMKYVAFWMF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.71
Rot. Bonds5

About 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109353352) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109353352
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyWVORVMKYVAFWMF-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109353352) is 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cccc(F)c2)ncn1.
What is the InChIKey of 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is WVORVMKYVAFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).