2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide

C16H19FN4O — CID 109264058

IUPAC2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C16H19FN4O/c1-3-4-8-21(2)16-18-10-12(11-19-16)15(22)20-14-7-5-6-13(17)9-14/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyYZAMZPBPMMMMNU-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.10
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109264058) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109264058
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C16H19FN4O/c1-3-4-8-21(2)16-18-10-12(11-19-16)15(22)20-14-7-5-6-13(17)9-14/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyYZAMZPBPMMMMNU-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264701
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248509

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 109264058) is 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is YZAMZPBPMMMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-3-4-8-21(2)16-18-10-12(11-19-16)15(22)20-14-7-5-6-13(17)9-14/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,22).
What are the key properties of 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).