ethane;7-methylpyrrolo[2,3-d]pyrimidine

C11H19N3 — CID 155705341

IUPACethane;7-methylpyrrolo[2,3-d]pyrimidine
SMILESCC.CC.Cn1ccc2cncnc21
InChIInChI=1S/C7H7N3.2C2H6/c1-10-3-2-6-4-8-5-9-7(6)10;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyHOXAPAYJTLFZAM-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.02
Rot. Bonds

About ethane;7-methylpyrrolo[2,3-d]pyrimidine

ethane;7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 155705341) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID155705341
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;7-methylpyrrolo[2,3-d]pyrimidine
SMILESCC.CC.Cn1ccc2cncnc21
InChIInChI=1S/C7H7N3.2C2H6/c1-10-3-2-6-4-8-5-9-7(6)10;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyHOXAPAYJTLFZAM-UHFFFAOYSA-N
XLogP3.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
methyl pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 175841453
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
CID 130121023
pyrrolo[2,3-d]pyrimidine-7-sulfonamide
CID 122648312
5-iodo-1-methylpyrrolo[2,3-b]pyridine
CID 140675954
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648

Frequently Asked Questions

What is the IUPAC name of ethane;7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of ethane;7-methylpyrrolo[2,3-d]pyrimidine (CID 155705341) is ethane;7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for ethane;7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for ethane;7-methylpyrrolo[2,3-d]pyrimidine is CC.CC.Cn1ccc2cncnc21.
What is the InChIKey of ethane;7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is HOXAPAYJTLFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2C2H6/c1-10-3-2-6-4-8-5-9-7(6)10;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;7-methylpyrrolo[2,3-d]pyrimidine?
ethane;7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 193.29 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155705341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).