7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine

C14H15BrN6O — CID 143021125

IUPAC7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)ncc(Cn2ccc3c(Br)nc(N)nc32)c1N
InChIInChI=1S/C14H15BrN6O/c1-7-11(22-2)10(16)8(5-18-7)6-21-4-3-9-12(15)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,16,18)(H2,17,19,20)
InChIKeyFCTZWLFVWCGDMP-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.12
Rot. Bonds3

About 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine

7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 143021125) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID143021125
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1c(C)ncc(Cn2ccc3c(Br)nc(N)nc32)c1N
InChIInChI=1S/C14H15BrN6O/c1-7-11(22-2)10(16)8(5-18-7)6-21-4-3-9-12(15)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,16,18)(H2,17,19,20)
InChIKeyFCTZWLFVWCGDMP-UHFFFAOYSA-N
XLogP2.12
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
7-bromo-3-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371709
7-[(6-bromo-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine
CID 11234878
4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11325088
4-bromo-7-[(4-chloro-1-hydroxy-3,5-dimethylpyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58742196
6-bromo-9-[(3,4,5-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
4-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-yn-1-ol
CID 11950513
7-[(6-chloro-4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-propylpyrrolo[2,3-d]pyrimidin-2-amine
CID 89371688
7-bromo-3-[(3,4,5-trimethoxy-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371713
CID 89371651
CID 89371651
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 90971021

Frequently Asked Questions

What is the IUPAC name of 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine (CID 143021125) is 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine is COc1c(C)ncc(Cn2ccc3c(Br)nc(N)nc32)c1N.
What is the InChIKey of 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is FCTZWLFVWCGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c1-7-11(22-2)10(16)8(5-18-7)6-21-4-3-9-12(15)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,16,18)(H2,17,19,20).
What are the key properties of 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine?
7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 363.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 143021125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).