(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone

C15H13F3N4O2 — CID 69271185

IUPAC(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ncnc2c1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)24-10-3-1-9(2-4-10)14(23)22-6-5-11-12(7-22)20-8-21-13(11)19/h1-4,8H,5-7H2,(H2,19,20,21)
InChIKeyLCBREBKOPQMSEP-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.16
Rot. Bonds2

About (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 69271185) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID69271185
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ncnc2c1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)24-10-3-1-9(2-4-10)14(23)22-6-5-11-12(7-22)20-8-21-13(11)19/h1-4,8H,5-7H2,(H2,19,20,21)
InChIKeyLCBREBKOPQMSEP-UHFFFAOYSA-N
XLogP2.16
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone (CID 69271185) is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone is Nc1ncnc2c1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is LCBREBKOPQMSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)24-10-3-1-9(2-4-10)14(23)22-6-5-11-12(7-22)20-8-21-13(11)19/h1-4,8H,5-7H2,(H2,19,20,21).
What are the key properties of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone?
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 338.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 69271185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).