4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H9F6N3O — CID 102722365

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)C(Oc1ncnc2c1CNCC2)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c11-9(12,13)8(10(14,15)16)20-7-5-3-17-2-1-6(5)18-4-19-7/h4,8,17H,1-3H2
InChIKeyZIKXDUGFSWVRLB-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.99
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 102722365) has the molecular formula C10H9F6N3O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID102722365
Molecular FormulaC10H9F6N3O
Molecular Weight301.19 g/mol
Exact Mass301.06
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)C(Oc1ncnc2c1CNCC2)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c11-9(12,13)8(10(14,15)16)20-7-5-3-17-2-1-6(5)18-4-19-7/h4,8,17H,1-3H2
InChIKeyZIKXDUGFSWVRLB-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 102722365) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)(F)C(Oc1ncnc2c1CNCC2)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZIKXDUGFSWVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O/c11-9(12,13)8(10(14,15)16)20-7-5-3-17-2-1-6(5)18-4-19-7/h4,8,17H,1-3H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 301.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 102722365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).