4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine

C10H12IN3 — CID 145275680

IUPAC4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1cn(C)c2ncnc(I)c12
InChIInChI=1S/C10H12IN3/c1-6(2)7-4-14(3)10-8(7)9(11)12-5-13-10/h4-6H,1-3H3
InChIKeyCAALXMAMAKNHBQ-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.70
Rot. Bonds1

About 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine

4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 145275680) has the molecular formula C10H12IN3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine
PubChem CID145275680
Molecular FormulaC10H12IN3
Molecular Weight301.13 g/mol
Exact Mass301.01
IUPAC Name4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1cn(C)c2ncnc(I)c12
InChIInChI=1S/C10H12IN3/c1-6(2)7-4-14(3)10-8(7)9(11)12-5-13-10/h4-6H,1-3H3
InChIKeyCAALXMAMAKNHBQ-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375483
2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 166552112
5-iodo-7-methyl-4-phenylsulfanylpyrrolo[2,3-d]pyrimidine
CID 155965431
1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone
CID 158280272
5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 176888439
bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 174701900
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337
(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
CID 155310387
4-chloro-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 19597426
5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 138465830
ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
CID 177241545
6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 177147400

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine (CID 145275680) is 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine is CC(C)c1cn(C)c2ncnc(I)c12.
What is the InChIKey of 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is CAALXMAMAKNHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3/c1-6(2)7-4-14(3)10-8(7)9(11)12-5-13-10/h4-6H,1-3H3.
What are the key properties of 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine?
4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 301.13 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 145275680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).