5-tert-butylpyrrolo[3,2-d]pyrimidine

C10H13N3 — CID 59421534

IUPAC5-tert-butylpyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)n1ccc2ncncc21
InChIInChI=1S/C10H13N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h4-7H,1-3H3
InChIKeyMKPABYLUOHLRPS-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds

About 5-tert-butylpyrrolo[3,2-d]pyrimidine

5-tert-butylpyrrolo[3,2-d]pyrimidine (PubChem CID 59421534) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-tert-butylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butylpyrrolo[3,2-d]pyrimidine
PubChem CID59421534
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-tert-butylpyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)n1ccc2ncncc21
InChIInChI=1S/C10H13N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h4-7H,1-3H3
InChIKeyMKPABYLUOHLRPS-UHFFFAOYSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butylpyrrolo[3,2-d]pyrimidine (CID 59421534) is 5-tert-butylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butylpyrrolo[3,2-d]pyrimidine is CC(C)(C)n1ccc2ncncc21.
What is the InChIKey of 5-tert-butylpyrrolo[3,2-d]pyrimidine?
The InChIKey is MKPABYLUOHLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h4-7H,1-3H3.
What are the key properties of 5-tert-butylpyrrolo[3,2-d]pyrimidine?
5-tert-butylpyrrolo[3,2-d]pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 59421534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).