7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane

C24H27F2N5O2S — CID 177137977

IUPAC7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane
SMILESC1CCOCC1.CN(C)c1nc2ncnc(-c3ccc(F)cc3F)c2s1.Cn1ccccc1=O
InChIInChI=1S/C13H10F2N4S.C6H7NO.C5H10O/c1-19(2)13-18-12-11(20-13)10(16-6-17-12)8-4-3-7(14)5-9(8)15;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2
InChIKeyJZHJEGZSQVXHOB-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.67
Rot. Bonds2

About 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane

7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane (PubChem CID 177137977) has the molecular formula C24H27F2N5O2S and a molecular weight of 487.58 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane
PubChem CID177137977
Molecular FormulaC24H27F2N5O2S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane
SMILESC1CCOCC1.CN(C)c1nc2ncnc(-c3ccc(F)cc3F)c2s1.Cn1ccccc1=O
InChIInChI=1S/C13H10F2N4S.C6H7NO.C5H10O/c1-19(2)13-18-12-11(20-13)10(16-6-17-12)8-4-3-7(14)5-9(8)15;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2
InChIKeyJZHJEGZSQVXHOB-UHFFFAOYSA-N
XLogP4.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887981
5-cyclopropyl-1,2,4-oxadiazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxane
CID 166122679
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
CID 157044854
1-cyclopropylpyrazole;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-6,7-dimethylpteridine;oxane
CID 166123369
7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887939
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 50926879
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
6-(difluoromethyl)-4-(2,4-difluorophenyl)-7-methylpteridine
CID 166121869

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane?
The IUPAC name of 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane (CID 177137977) is 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane.
What is the SMILES notation for 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane?
The canonical SMILES for 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane is C1CCOCC1.CN(C)c1nc2ncnc(-c3ccc(F)cc3F)c2s1.Cn1ccccc1=O.
What is the InChIKey of 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane?
The InChIKey is JZHJEGZSQVXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4S.C6H7NO.C5H10O/c1-19(2)13-18-12-11(20-13)10(16-6-17-12)8-4-3-7(14)5-9(8)15;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2.
What are the key properties of 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane?
7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane has a molecular weight of 487.58 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine;1-methylpyridin-2-one;oxane is sourced from PubChem (CID 177137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).