4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H12F3N5O — CID 86772972

IUPAC4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C13H12F3N5O/c1-22-11-8-6-21(5-3-9(8)18-7-19-11)12-17-4-2-10(20-12)13(14,15)16/h2,4,7H,3,5-6H2,1H3
InChIKeyCZEVQYFYZAOAHH-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.86
Rot. Bonds2

About 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86772972) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86772972
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC Name4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C13H12F3N5O/c1-22-11-8-6-21(5-3-9(8)18-7-19-11)12-17-4-2-10(20-12)13(14,15)16/h2,4,7H,3,5-6H2,1H3
InChIKeyCZEVQYFYZAOAHH-UHFFFAOYSA-N
XLogP1.86
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86772972) is 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2.
What is the InChIKey of 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CZEVQYFYZAOAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c1-22-11-8-6-21(5-3-9(8)18-7-19-11)12-17-4-2-10(20-12)13(14,15)16/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 311.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86772972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).