6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C10H11BrN4O — CID 169213181

IUPAC6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(Br)c(C2COC2)c2c(N)ncnc21
InChIInChI=1S/C10H11BrN4O/c1-15-8(11)6(5-2-16-3-5)7-9(12)13-4-14-10(7)15/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyFMRTVEXKXZJMRG-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.43
Rot. Bonds1

About 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 169213181) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID169213181
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1c(Br)c(C2COC2)c2c(N)ncnc21
InChIInChI=1S/C10H11BrN4O/c1-15-8(11)6(5-2-16-3-5)7-9(12)13-4-14-10(7)15/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyFMRTVEXKXZJMRG-UHFFFAOYSA-N
XLogP1.43
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-bromo-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 169213123
1-[9-[4-amino-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-6-yl]-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-en-1-one
CID 169213258
(2S)-4-(4-amino-5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-6-yl)-2-methylpyrrolidine-1-carboxylic acid
CID 155287687
5,11-dimethyl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-16-amine
CID 164992076
tert-butyl N-[(2S)-1-(4-amino-6-bromo-5-cyclopropylpyrrolo[2,3-d]pyrimidin-7-yl)but-3-en-2-yl]carbamate
CID 121299001
8-bromo-9-methylpurin-6-amine
CID 822296
CID 155723039
CID 155723039
6-(3-azaspiro[5.5]undec-9-en-9-yl)-7-methyl-5-[5-(oxolan-3-yl)pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 169213155
6-bromo-7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 22736318
1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167512635
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 169213181) is 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Cn1c(Br)c(C2COC2)c2c(N)ncnc21.
What is the InChIKey of 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FMRTVEXKXZJMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-15-8(11)6(5-2-16-3-5)7-9(12)13-4-14-10(7)15/h4-5H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 283.13 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169213181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).