ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine

C9H13N3 — CID 143935779

IUPACethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC.Cc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3.C2H6/c1-5-7-6(2-3-8-7)10-4-9-5;1-2/h2-4,8H,1H3;1-2H3
InChIKeyZBSFBDDSZWPQGO-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.29
Rot. Bonds

About ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine

ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 143935779) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID143935779
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC.Cc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3.C2H6/c1-5-7-6(2-3-8-7)10-4-9-5;1-2/h2-4,8H,1H3;1-2H3
InChIKeyZBSFBDDSZWPQGO-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 143935779) is ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine is CC.Cc1ncnc2cc[nH]c12.
What is the InChIKey of ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is ZBSFBDDSZWPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-5-7-6(2-3-8-7)10-4-9-5;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 143935779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).