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

C14H14F3N5O — CID 86772984

IUPAC4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C14H14F3N5O/c1-2-23-12-9-7-22(6-4-10(9)19-8-20-12)13-18-5-3-11(21-13)14(15,16)17/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQRNWXWPDFCEHAO-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.25
Rot. Bonds3

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

4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86772984) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86772984
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C14H14F3N5O/c1-2-23-12-9-7-22(6-4-10(9)19-8-20-12)13-18-5-3-11(21-13)14(15,16)17/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQRNWXWPDFCEHAO-UHFFFAOYSA-N
XLogP2.25
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86772984) is 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1ncnc2c1CN(c1nccc(C(F)(F)F)n1)CC2.
What is the InChIKey of 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QRNWXWPDFCEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-2-23-12-9-7-22(6-4-10(9)19-8-20-12)13-18-5-3-11(21-13)14(15,16)17/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 325.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(trifluoromethyl)pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86772984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).