1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

C18H19F3N4O2 — CID 56869203

IUPAC1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)C(O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C18H19F3N4O2/c1-24(2)16-13-7-8-25(9-14(13)22-10-23-16)17(27)15(26)11-3-5-12(6-4-11)18(19,20)21/h3-6,10,15,26H,7-9H2,1-2H3
InChIKeyICAKJATWEXCIPR-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 56869203) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID56869203
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)C(O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C18H19F3N4O2/c1-24(2)16-13-7-8-25(9-14(13)22-10-23-16)17(27)15(26)11-3-5-12(6-4-11)18(19,20)21/h3-6,10,15,26H,7-9H2,1-2H3
InChIKeyICAKJATWEXCIPR-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (CID 56869203) is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is CN(C)c1ncnc2c1CCN(C(=O)C(O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ICAKJATWEXCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-24(2)16-13-7-8-25(9-14(13)22-10-23-16)17(27)15(26)11-3-5-12(6-4-11)18(19,20)21/h3-6,10,15,26H,7-9H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 380.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 56869203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).