N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C17H21FN4O — CID 109333115

IUPACN-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(NCCC(C)C)n1
InChIInChI=1S/C17H21FN4O/c1-11(2)8-9-19-17-20-12(3)10-15(22-17)16(23)21-14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyIYMZKNPLTCFBPA-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.63
Rot. Bonds6

About N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109333115) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109333115
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(NCCC(C)C)n1
InChIInChI=1S/C17H21FN4O/c1-11(2)8-9-19-17-20-12(3)10-15(22-17)16(23)21-14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyIYMZKNPLTCFBPA-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116
N-(3-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333161
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109330702
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333139
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109333115) is N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)nc(NCCC(C)C)n1.
What is the InChIKey of N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is IYMZKNPLTCFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-11(2)8-9-19-17-20-12(3)10-15(22-17)16(23)21-14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).