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

C19H25FN4O — CID 109371833

IUPAC6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2F)nc(C)n1
InChIInChI=1S/C19H25FN4O/c1-4-5-12-24(3)18-13-17(22-14(2)23-18)19(25)21-11-10-15-8-6-7-9-16(15)20/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyUGHJZAOKTYZVLZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.13
Rot. Bonds8

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

6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371833) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109371833
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCc2ccccc2F)nc(C)n1
InChIInChI=1S/C19H25FN4O/c1-4-5-12-24(3)18-13-17(22-14(2)23-18)19(25)21-11-10-15-8-6-7-9-16(15)20/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyUGHJZAOKTYZVLZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109371833) is 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCCc2ccccc2F)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is UGHJZAOKTYZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-5-12-24(3)18-13-17(22-14(2)23-18)19(25)21-11-10-15-8-6-7-9-16(15)20/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25).
What are the key properties of 6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.13, 8 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-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).