2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C16H14F3N5O2 — CID 59258820

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(F)(F)F)c2=O)cn1
InChIInChI=1S/C16H14F3N5O2/c1-8-10-5-11(9-3-4-12(26-2)21-6-9)14(25)24(7-16(17,18)19)13(10)23-15(20)22-8/h3-6H,7H2,1-2H3,(H2,20,22,23)
InChIKeyYXNCHXKJLZMXQV-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258820) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258820
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(F)(F)F)c2=O)cn1
InChIInChI=1S/C16H14F3N5O2/c1-8-10-5-11(9-3-4-12(26-2)21-6-9)14(25)24(7-16(17,18)19)13(10)23-15(20)22-8/h3-6H,7H2,1-2H3,(H2,20,22,23)
InChIKeyYXNCHXKJLZMXQV-UHFFFAOYSA-N
XLogP2.32
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258820) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC(F)(F)F)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YXNCHXKJLZMXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-8-10-5-11(9-3-4-12(26-2)21-6-9)14(25)24(7-16(17,18)19)13(10)23-15(20)22-8/h3-6H,7H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 365.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).