7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H15N3O — CID 158518588

IUPAC7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)N=CC2C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-6-13-8-7(11(2,3)4)5-12-9(8)10(15)14-6/h5,7H,1-4H3,(H,13,14,15)
InChIKeyVYWFRGWDQFXVDZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds

About 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 158518588) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID158518588
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)N=CC2C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-6-13-8-7(11(2,3)4)5-12-9(8)10(15)14-6/h5,7H,1-4H3,(H,13,14,15)
InChIKeyVYWFRGWDQFXVDZ-UHFFFAOYSA-N
XLogP1.92
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 158518588) is 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)N=CC2C(C)(C)C.
What is the InChIKey of 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is VYWFRGWDQFXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-13-8-7(11(2,3)4)5-12-9(8)10(15)14-6/h5,7H,1-4H3,(H,13,14,15).
What are the key properties of 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158518588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).