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

C24H34N6O — CID 163794174

IUPAC7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc(C)c2ccn(C(C)(C)C)c2n1.Cc1nc2c(ccn2C(C)(C)C)c(=O)n1C
InChIInChI=1S/C12H17N3O.C12H17N3/c1-8-13-10-9(11(16)14(8)5)6-7-15(10)12(2,3)4;1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3;6-7H,1-5H3
InChIKeyMZIZBQOSBHSUFL-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.60
Rot. Bonds

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

7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 163794174) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID163794174
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc(C)c2ccn(C(C)(C)C)c2n1.Cc1nc2c(ccn2C(C)(C)C)c(=O)n1C
InChIInChI=1S/C12H17N3O.C12H17N3/c1-8-13-10-9(11(16)14(8)5)6-7-15(10)12(2,3)4;1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3;6-7H,1-5H3
InChIKeyMZIZBQOSBHSUFL-UHFFFAOYSA-N
XLogP4.60
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 140735408
2,3-dimethylthieno[3,4-d]pyrimidin-4-one
CID 59961683
7-(3,3-dimethylbut-1-en-2-yloxymethyl)-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 157442770
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
1,2,9-trimethylpurin-6-one
CID 59886903
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-amino-7-ethyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 166470261
7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 58492855
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198
4-chloro-7-cyclopent-3-en-1-yl-2-methylpyrrolo[2,3-d]pyrimidine
CID 126562791

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one (CID 163794174) is 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one is Cc1nc(C)c2ccn(C(C)(C)C)c2n1.Cc1nc2c(ccn2C(C)(C)C)c(=O)n1C.
What is the InChIKey of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MZIZBQOSBHSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C12H17N3/c1-8-13-10-9(11(16)14(8)5)6-7-15(10)12(2,3)4;1-8-10-6-7-15(12(3,4)5)11(10)14-9(2)13-8/h6-7H,1-5H3;6-7H,1-5H3.
What are the key properties of 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one?
7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 422.58 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2,4-dimethylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-2,3-dimethylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163794174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).