2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H21F2N5 — CID 162669622

IUPAC2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2Cc3c(C)ccc(C)c3C2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C19H21F2N5/c1-10-5-6-11(2)15-9-13(8-14(10)15)23-16-7-12(3)22-18-24-17(19(4,20)21)25-26(16)18/h5-7,13,23H,8-9H2,1-4H3
InChIKeySSKKUEPOXJAQCQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.74
Rot. Bonds3

About 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162669622) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162669622
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2Cc3c(C)ccc(C)c3C2)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C19H21F2N5/c1-10-5-6-11(2)15-9-13(8-14(10)15)23-16-7-12(3)22-18-24-17(19(4,20)21)25-26(16)18/h5-7,13,23H,8-9H2,1-4H3
InChIKeySSKKUEPOXJAQCQ-UHFFFAOYSA-N
XLogP3.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162669622) is 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2Cc3c(C)ccc(C)c3C2)n2nc(C(C)(F)F)nc2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SSKKUEPOXJAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-10-5-6-11(2)15-9-13(8-14(10)15)23-16-7-12(3)22-18-24-17(19(4,20)21)25-26(16)18/h5-7,13,23H,8-9H2,1-4H3.
What are the key properties of 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 357.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162669622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).