6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

C17H21FN4O — CID 109348168

IUPAC6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccccc2F)ncn1
InChIInChI=1S/C17H21FN4O/c1-3-4-9-22(2)16-10-15(20-12-21-16)17(23)19-11-13-7-5-6-8-14(13)18/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,23)
InChIKeyPHDIISADQHXVDR-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.78
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348168) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348168
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccccc2F)ncn1
InChIInChI=1S/C17H21FN4O/c1-3-4-9-22(2)16-10-15(20-12-21-16)17(23)19-11-13-7-5-6-8-14(13)18/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,23)
InChIKeyPHDIISADQHXVDR-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156545
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348168) is 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCc2ccccc2F)ncn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PHDIISADQHXVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-4-9-22(2)16-10-15(20-12-21-16)17(23)19-11-13-7-5-6-8-14(13)18/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,23).
What are the key properties of 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).