(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone

C15H16FN3O4S — CID 58777594

IUPAC(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone
SMILESCCS(=O)c1ncc(C(=O)c2c(F)cc(OC)cc2OC)c(N)n1
InChIInChI=1S/C15H16FN3O4S/c1-4-24(21)15-18-7-9(14(17)19-15)13(20)12-10(16)5-8(22-2)6-11(12)23-3/h5-7H,4H2,1-3H3,(H2,17,18,19)
InChIKeyJSOHHOMPMLNXED-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.57
Rot. Bonds6

About (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone

(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone (PubChem CID 58777594) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone
PubChem CID58777594
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone
SMILESCCS(=O)c1ncc(C(=O)c2c(F)cc(OC)cc2OC)c(N)n1
InChIInChI=1S/C15H16FN3O4S/c1-4-24(21)15-18-7-9(14(17)19-15)13(20)12-10(16)5-8(22-2)6-11(12)23-3/h5-7H,4H2,1-3H3,(H2,17,18,19)
InChIKeyJSOHHOMPMLNXED-UHFFFAOYSA-N
XLogP1.57
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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-ethylsulfinylpyrimidin-5-yl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 21070597
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone
CID 21070598
4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone;1-fluoro-3,5-dimethoxybenzene;methane
CID 157448301
(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone
CID 21070613
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone
CID 21070600
tert-butyl 4-[[4-amino-5-(2-fluoro-4,6-dimethoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 58777628
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-methoxyphenyl)methanone;[4-amino-2-(thian-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone;methane;thian-4-amine
CID 162217293
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone;(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 159907132
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluoro-6-methoxy-2-methylphenyl)methanone
CID 21070580
1,3,5-triazin-2-yl 2-fluoro-4,6-dimethoxybenzoate
CID 175448171

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone?
The IUPAC name of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone (CID 58777594) is (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone is CCS(=O)c1ncc(C(=O)c2c(F)cc(OC)cc2OC)c(N)n1.
What is the InChIKey of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone?
The InChIKey is JSOHHOMPMLNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-4-24(21)15-18-7-9(14(17)19-15)13(20)12-10(16)5-8(22-2)6-11(12)23-3/h5-7H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of (4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone?
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(2-fluoro-4,6-dimethoxyphenyl)methanone has a molecular weight of 353.38 g/mol, XLogP of 1.57, 6 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)-(2-fluoro-4,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 58777594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).