4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine

C9H11N3 — CID 123540887

IUPAC4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCc1ncnc2c(C)c[nH]c12
InChIInChI=1S/C9H11N3/c1-3-7-9-8(12-5-11-7)6(2)4-10-9/h4-5,10H,3H2,1-2H3
InChIKeyOONOBQMYXUTXCU-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.83
Rot. Bonds1

About 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine

4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 123540887) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID123540887
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCc1ncnc2c(C)c[nH]c12
InChIInChI=1S/C9H11N3/c1-3-7-9-8(12-5-11-7)6(2)4-10-9/h4-5,10H,3H2,1-2H3
InChIKeyOONOBQMYXUTXCU-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diethyl-5-methylpyrimidine
CID 56994655
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
CID 174580185
6-ethyl-7,9-dihydropurin-8-one
CID 130251294
4,6-diethylpyrimidin-5-amine
CID 15585361
7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 58957259
4,6-diethylpyrimidin-5-amine;hydrochloride
CID 119057009
N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid
CID 165397879
(4-butoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methanamine
CID 71002750
2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol
CID 123946713
4,5-dichloro-6-ethylpyrimidine
CID 11137668
6-ethylpyrimidine-4,5-diamine
CID 55281657

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 123540887) is 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine is CCc1ncnc2c(C)c[nH]c12.
What is the InChIKey of 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OONOBQMYXUTXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-7-9-8(12-5-11-7)6(2)4-10-9/h4-5,10H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 123540887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).