2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide

C16H18F3N5O — CID 129329094

IUPAC2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-12(6-20-10(2)22-9)15(25)21-5-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h6,8,11H,3-5,7H2,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyDHBUZNZEUKLTCN-NSHDSACASA-N
MW353.35 g/mol
LogP2.30
Rot. Bonds3

About 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 129329094) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
PubChem CID129329094
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-12(6-20-10(2)22-9)15(25)21-5-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h6,8,11H,3-5,7H2,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyDHBUZNZEUKLTCN-NSHDSACASA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide (CID 129329094) is 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is DHBUZNZEUKLTCN-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-9-12(6-20-10(2)22-9)15(25)21-5-11-3-4-14-23-13(16(17,18)19)8-24(14)7-11/h6,8,11H,3-5,7H2,1-2H3,(H,21,25)/t11-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129329094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).