6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C16H16FN5O2 — CID 170638210

IUPAC6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2n1
InChIInChI=1S/C16H16FN5O2/c1-6-10(17)4-11(23)7(2)13(6)22-14(18)12(15(19)24)9-5-20-8(3)21-16(9)22/h4-5,23H,18H2,1-3H3,(H2,19,24)
InChIKeyRUZKLCUCBKJKQG-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.87
Rot. Bonds2

About 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170638210) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170638210
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2n1
InChIInChI=1S/C16H16FN5O2/c1-6-10(17)4-11(23)7(2)13(6)22-14(18)12(15(19)24)9-5-20-8(3)21-16(9)22/h4-5,23H,18H2,1-3H3,(H2,19,24)
InChIKeyRUZKLCUCBKJKQG-UHFFFAOYSA-N
XLogP1.87
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Lunresertib
CID 156869388
Myt1-IN-3
CID 156869367
Myt1-IN-1
CID 156869546
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869549
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869375
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
2-Amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869459
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869542
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 170638210) is 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1ncc2c(C(N)=O)c(N)n(-c3c(C)c(O)cc(F)c3C)c2n1.
What is the InChIKey of 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is RUZKLCUCBKJKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-6-10(17)4-11(23)7(2)13(6)22-14(18)12(15(19)24)9-5-20-8(3)21-16(9)22/h4-5,23H,18H2,1-3H3,(H2,19,24).
What are the key properties of 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170638210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).