6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C19H18N6O3S — CID 176792247

IUPAC6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(Oc2cncs2)c2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C19H18N6O3S/c1-8-4-5-11(26)9(2)15(8)25-16(20)13(17(21)27)14-18(25)23-10(3)24-19(14)28-12-6-22-7-29-12/h4-7,26H,20H2,1-3H3,(H2,21,27)
InChIKeyVUMBFYZXWFPGQB-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.98
Rot. Bonds4

About 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide

6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 176792247) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID176792247
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(Oc2cncs2)c2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C19H18N6O3S/c1-8-4-5-11(26)9(2)15(8)25-16(20)13(17(21)27)14-18(25)23-10(3)24-19(14)28-12-6-22-7-29-12/h4-7,26H,20H2,1-3H3,(H2,21,27)
InChIKeyVUMBFYZXWFPGQB-UHFFFAOYSA-N
XLogP2.98
TPSA142.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
6-amino-7-(6-bromo-3-hydroxy-2-methylphenyl)-2-methyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172625983
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
CID 177163686
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111080
5-amino-4-(3-hydroxy-2,6-dimethylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene-6-carboxamide
CID 168731077
6-amino-2-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869406
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
6-amino-4-[2-(3-fluoro-4-pyridinyl)ethynyl]-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172562905
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 168731117

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 176792247) is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1nc(Oc2cncs2)c2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1.
What is the InChIKey of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VUMBFYZXWFPGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-8-4-5-11(26)9(2)15(8)25-16(20)13(17(21)27)14-18(25)23-10(3)24-19(14)28-12-6-22-7-29-12/h4-7,26H,20H2,1-3H3,(H2,21,27).
What are the key properties of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-2-methyl-4-(1,3-thiazol-5-yloxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 176792247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).