2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide

C17H18F3N3O3 — CID 91629266

IUPAC2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)c(C)o1
InChIInChI=1S/C17H18F3N3O3/c1-9-7-11(10(2)26-9)16(24)21-5-3-14-22-13-4-6-25-8-12(13)15(23-14)17(18,19)20/h7H,3-6,8H2,1-2H3,(H,21,24)
InChIKeyPNTIVOKSZDFWSW-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.75
Rot. Bonds4

About 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide (PubChem CID 91629266) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide
PubChem CID91629266
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)c(C)o1
InChIInChI=1S/C17H18F3N3O3/c1-9-7-11(10(2)26-9)16(24)21-5-3-14-22-13-4-6-25-8-12(13)15(23-14)17(18,19)20/h7H,3-6,8H2,1-2H3,(H,21,24)
InChIKeyPNTIVOKSZDFWSW-UHFFFAOYSA-N
XLogP2.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide (CID 91629266) is 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide?
The InChIKey is PNTIVOKSZDFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-9-7-11(10(2)26-9)16(24)21-5-3-14-22-13-4-6-25-8-12(13)15(23-14)17(18,19)20/h7H,3-6,8H2,1-2H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 91629266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).