(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone

C13H14N4O3S — CID 21070598

IUPAC(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone
SMILESCCS(=O)c1ncc(C(=O)c2ncccc2OC)c(N)n1
InChIInChI=1S/C13H14N4O3S/c1-3-21(19)13-16-7-8(12(14)17-13)11(18)10-9(20-2)5-4-6-15-10/h4-7H,3H2,1-2H3,(H2,14,16,17)
InChIKeyOYWMYXFOKNNAHL-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.82
Rot. Bonds5

About (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone

(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone (PubChem CID 21070598) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone
PubChem CID21070598
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone
SMILESCCS(=O)c1ncc(C(=O)c2ncccc2OC)c(N)n1
InChIInChI=1S/C13H14N4O3S/c1-3-21(19)13-16-7-8(12(14)17-13)11(18)10-9(20-2)5-4-6-15-10/h4-7H,3H2,1-2H3,(H2,14,16,17)
InChIKeyOYWMYXFOKNNAHL-UHFFFAOYSA-N
XLogP0.82
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone
CID 58777594
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 21070597
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone
CID 21070600
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2,3,4-trifluoro-6-methoxyphenyl)methanone;(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2,3,4-trifluoro-6-methoxyphenyl)methanone
CID 158696377
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone;(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 159907132
(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
CID 114053733
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
3-[(2,6-dimethoxyphenyl)methyl]pyridin-2-amine
CID 116811036
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone (CID 21070598) is (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone is CCS(=O)c1ncc(C(=O)c2ncccc2OC)c(N)n1.
What is the InChIKey of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is OYWMYXFOKNNAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-3-21(19)13-16-7-8(12(14)17-13)11(18)10-9(20-2)5-4-6-15-10/h4-7H,3H2,1-2H3,(H2,14,16,17).
What are the key properties of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone?
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 306.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 21070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).