5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine

C16H16ClF3N4O — CID 163496396

IUPAC5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Cl)c2cnc(NC3CCC4(CCO4)CC3)nc12
InChIInChI=1S/C16H16ClF3N4O/c17-13-10-7-22-14(24-12(10)11(8-21-13)16(18,19)20)23-9-1-3-15(4-2-9)5-6-25-15/h7-9H,1-6H2,(H,22,23,24)
InChIKeyCRBUODFCEBBZLK-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.21
Rot. Bonds2

About 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine

5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 163496396) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine
PubChem CID163496396
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Cl)c2cnc(NC3CCC4(CCO4)CC3)nc12
InChIInChI=1S/C16H16ClF3N4O/c17-13-10-7-22-14(24-12(10)11(8-21-13)16(18,19)20)23-9-1-3-15(4-2-9)5-6-25-15/h7-9H,1-6H2,(H,22,23,24)
InChIKeyCRBUODFCEBBZLK-UHFFFAOYSA-N
XLogP4.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine (CID 163496396) is 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine is FC(F)(F)c1cnc(Cl)c2cnc(NC3CCC4(CCO4)CC3)nc12.
What is the InChIKey of 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is CRBUODFCEBBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c17-13-10-7-22-14(24-12(10)11(8-21-13)16(18,19)20)23-9-1-3-15(4-2-9)5-6-25-15/h7-9H,1-6H2,(H,22,23,24).
What are the key properties of 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine?
5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 372.78 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-oxaspiro[3.5]nonan-7-yl)-8-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163496396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).