N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide

C18H19F3N4O2 — CID 122317868

IUPACN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-10-16(25-8-4-5-9-25)24-15(23-12)11-22-17(26)13-6-2-3-7-14(13)27-18(19,20)21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,22,26)
InChIKeyMJTNMQLUKZZFPP-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 122317868) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
PubChem CID122317868
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-10-16(25-8-4-5-9-25)24-15(23-12)11-22-17(26)13-6-2-3-7-14(13)27-18(19,20)21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,22,26)
InChIKeyMJTNMQLUKZZFPP-UHFFFAOYSA-N
XLogP3.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294939
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 121137983
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
2-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122318233

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide (CID 122317868) is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide is Cc1cc(N2CCCC2)nc(CNC(=O)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is MJTNMQLUKZZFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-12-10-16(25-8-4-5-9-25)24-15(23-12)11-22-17(26)13-6-2-3-7-14(13)27-18(19,20)21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,22,26).
What are the key properties of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide?
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122317868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).