N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H16F2N4O — CID 109362878

IUPACN-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2F)cc(N2CCCC2)n1
InChIInChI=1S/C16H16F2N4O/c1-10-19-13(9-14(20-10)22-7-2-3-8-22)16(23)21-15-11(17)5-4-6-12(15)18/h4-6,9H,2-3,7-8H2,1H3,(H,21,23)
InChIKeyAJPZTXQOAURUQT-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.92
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109362878) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109362878
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2F)cc(N2CCCC2)n1
InChIInChI=1S/C16H16F2N4O/c1-10-19-13(9-14(20-10)22-7-2-3-8-22)16(23)21-15-11(17)5-4-6-12(15)18/h4-6,9H,2-3,7-8H2,1H3,(H,21,23)
InChIKeyAJPZTXQOAURUQT-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612
6-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109367811
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109362878) is N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2c(F)cccc2F)cc(N2CCCC2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is AJPZTXQOAURUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-10-19-13(9-14(20-10)22-7-2-3-8-22)16(23)21-15-11(17)5-4-6-12(15)18/h4-6,9H,2-3,7-8H2,1H3,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).