7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine

C14H21N3 — CID 155782990

IUPAC7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCCC(Cn1ccc2cnc(C)nc21)C(C)C
InChIInChI=1S/C14H21N3/c1-5-12(10(2)3)9-17-7-6-13-8-15-11(4)16-14(13)17/h6-8,10,12H,5,9H2,1-4H3
InChIKeyAWGSZGUXEFIDRZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds4

About 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine

7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 155782990) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine
PubChem CID155782990
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCCC(Cn1ccc2cnc(C)nc21)C(C)C
InChIInChI=1S/C14H21N3/c1-5-12(10(2)3)9-17-7-6-13-8-15-11(4)16-14(13)17/h6-8,10,12H,5,9H2,1-4H3
InChIKeyAWGSZGUXEFIDRZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine (CID 155782990) is 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine is CCC(Cn1ccc2cnc(C)nc21)C(C)C.
What is the InChIKey of 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is AWGSZGUXEFIDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-12(10(2)3)9-17-7-6-13-8-15-11(4)16-14(13)17/h6-8,10,12H,5,9H2,1-4H3.
What are the key properties of 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine?
7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 231.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-3-methylbutyl)-2-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155782990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).