2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine

C11H15N3 — CID 147039934

IUPAC2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C(C)(C)C)nc2cc[nH]c12
InChIInChI=1S/C11H15N3/c1-7-9-8(5-6-12-9)14-10(13-7)11(2,3)4/h5-6,12H,1-4H3
InChIKeyAZGFKHBTXVNONW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.56
Rot. Bonds

About 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine

2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 147039934) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID147039934
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C(C)(C)C)nc2cc[nH]c12
InChIInChI=1S/C11H15N3/c1-7-9-8(5-6-12-9)14-10(13-7)11(2,3)4/h5-6,12H,1-4H3
InChIKeyAZGFKHBTXVNONW-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 147039934) is 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(C(C)(C)C)nc2cc[nH]c12.
What is the InChIKey of 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is AZGFKHBTXVNONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-9-8(5-6-12-9)14-10(13-7)11(2,3)4/h5-6,12H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine?
2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 147039934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).