6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C17H17F3N4O — CID 109321669

IUPAC6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H17F3N4O/c1-11-10-14(23-16(21-11)24-8-2-3-9-24)15(25)22-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,2-3,8-9H2,1H3,(H,22,25)
InChIKeyVMMUOXRYNCLOIF-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.66
Rot. Bonds3

About 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109321669) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109321669
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H17F3N4O/c1-11-10-14(23-16(21-11)24-8-2-3-9-24)15(25)22-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,2-3,8-9H2,1H3,(H,22,25)
InChIKeyVMMUOXRYNCLOIF-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109323058
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
6-methyl-N-(4-phenoxyphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322398
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109321669) is 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is VMMUOXRYNCLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-11-10-14(23-16(21-11)24-8-2-3-9-24)15(25)22-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,2-3,8-9H2,1H3,(H,22,25).
What are the key properties of 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109321669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).