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

C10H12F3N3O — CID 81223475

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(Oc1ncnc2c1CNCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-6(10(11,12)13)17-9-7-4-14-3-2-8(7)15-5-16-9/h5-6,14H,2-4H2,1H3
InChIKeyBSWFMNNFDLWQKD-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.45
Rot. Bonds2

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

4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81223475) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81223475
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(Oc1ncnc2c1CNCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c1-6(10(11,12)13)17-9-7-4-14-3-2-8(7)15-5-16-9/h5-6,14H,2-4H2,1H3
InChIKeyBSWFMNNFDLWQKD-UHFFFAOYSA-N
XLogP1.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183
4-(2,2-difluoroethoxy)-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219216
2-methyl-4-(4,4,4-trifluorobutoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219238
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219244
2-methyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219250

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81223475) is 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(Oc1ncnc2c1CNCC2)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is BSWFMNNFDLWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(10(11,12)13)17-9-7-4-14-3-2-8(7)15-5-16-9/h5-6,14H,2-4H2,1H3.
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 247.22 g/mol, XLogP of 1.45, 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-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81223475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).