7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine

C12H17N3 — CID 140735408

IUPAC7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2ccn(C(C)(C)C)c2n1
InChIInChI=1S/C12H17N3/c1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3
InChIKeyABGNWBHISFTCKN-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds

About 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine

7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 140735408) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID140735408
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(C)c2ccn(C(C)(C)C)c2n1
InChIInChI=1S/C12H17N3/c1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3
InChIKeyABGNWBHISFTCKN-UHFFFAOYSA-N
XLogP2.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one
CID 163794174
7-(3,3-dimethylbut-1-en-2-yloxymethyl)-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 157442770
7-tert-butyl-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 70800295
1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine
CID 129128725
7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 58492855
8-(2,6-difluorophenyl)-2,4-dimethylpyrido[2,3-d]pyrimidin-7-one
CID 143303109
7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione
CID 153432371
2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine
CID 166973993
1,4-ditert-butylpyrrolo[3,2-c]pyridine
CID 118391024
1-tert-butyl-6-methyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75384081
4-chloro-7-cyclopent-3-en-1-yl-2-methylpyrrolo[2,3-d]pyrimidine
CID 126562791
2,4-dimethylfuro[3,4-d]pyrimidine
CID 89274453

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine (CID 140735408) is 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine is Cc1nc(C)c2ccn(C(C)(C)C)c2n1.
What is the InChIKey of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is ABGNWBHISFTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3.
What are the key properties of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 140735408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).