4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

C16H15F3N4O3 — CID 59435523

IUPAC4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(N)c2c(n1)CCN(c1ccc(C(O)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C16H15F3N4O3/c1-26-15-21-10-6-7-23(14(25)11(10)13(20)22-15)9-4-2-8(3-5-9)12(24)16(17,18)19/h2-5,12,24H,6-7H2,1H3,(H2,20,21,22)
InChIKeyQFLVUCYXUSVZNM-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.87
Rot. Bonds3

About 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one

4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (PubChem CID 59435523) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
PubChem CID59435523
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Name4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(N)c2c(n1)CCN(c1ccc(C(O)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C16H15F3N4O3/c1-26-15-21-10-6-7-23(14(25)11(10)13(20)22-15)9-4-2-8(3-5-9)12(24)16(17,18)19/h2-5,12,24H,6-7H2,1H3,(H2,20,21,22)
InChIKeyQFLVUCYXUSVZNM-UHFFFAOYSA-N
XLogP1.87
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one (CID 59435523) is 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is COc1nc(N)c2c(n1)CCN(c1ccc(C(O)C(F)(F)F)cc1)C2=O.
What is the InChIKey of 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QFLVUCYXUSVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-26-15-21-10-6-7-23(14(25)11(10)13(20)22-15)9-4-2-8(3-5-9)12(24)16(17,18)19/h2-5,12,24H,6-7H2,1H3,(H2,20,21,22).
What are the key properties of 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one?
4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one has a molecular weight of 368.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 59435523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).