(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone

C14H13F2N3O4S — CID 21070613

IUPAC(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(F)c(C(=O)c2cnc(S(C)=O)nc2N)c1OC
InChIInChI=1S/C14H13F2N3O4S/c1-22-8-4-7(15)10(16)9(12(8)23-2)11(20)6-5-18-14(24(3)21)19-13(6)17/h4-5H,1-3H3,(H2,17,18,19)
InChIKeyWWUIMTATNJALHW-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.32
Rot. Bonds5

About (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone

(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone (PubChem CID 21070613) has the molecular formula C14H13F2N3O4S and a molecular weight of 357.34 g/mol. Its IUPAC name is (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone
PubChem CID21070613
Molecular FormulaC14H13F2N3O4S
Molecular Weight357.34 g/mol
Exact Mass357.06
IUPAC Name(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone
SMILESCOc1cc(F)c(F)c(C(=O)c2cnc(S(C)=O)nc2N)c1OC
InChIInChI=1S/C14H13F2N3O4S/c1-22-8-4-7(15)10(16)9(12(8)23-2)11(20)6-5-18-14(24(3)21)19-13(6)17/h4-5H,1-3H3,(H2,17,18,19)
InChIKeyWWUIMTATNJALHW-UHFFFAOYSA-N
XLogP1.32
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.32
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)-(2-fluoro-4,6-dimethoxyphenyl)methanone
CID 58777594
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluoro-6-methoxy-2-methylphenyl)methanone
CID 21070580
(2-amino-6-chloro-3-pyridinyl)-(2,3-difluoro-6-methoxyphenyl)methanone
CID 58590826
(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)-(2,6-difluoro-3-methoxyphenyl)methanone;1-bromo-3,5-difluoro-2-methoxybenzene
CID 159367353
3-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]azetidine-1-carboxylic acid
CID 21070514
[4-amino-2-[[4-(dimethylamino)cyclohexyl]amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 21070492
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-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 11722738
4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carbaldehyde
CID 10363028

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone?
The IUPAC name of (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone (CID 21070613) is (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone is COc1cc(F)c(F)c(C(=O)c2cnc(S(C)=O)nc2N)c1OC.
What is the InChIKey of (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone?
The InChIKey is WWUIMTATNJALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O4S/c1-22-8-4-7(15)10(16)9(12(8)23-2)11(20)6-5-18-14(24(3)21)19-13(6)17/h4-5H,1-3H3,(H2,17,18,19).
What are the key properties of (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone?
(4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone has a molecular weight of 357.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylsulfinylpyrimidin-5-yl)-(2,3-difluoro-5,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 21070613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).