5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C11H15N3O — CID 170991554

IUPAC5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(C(C)C)c2nc[nH]c(=O)c12
InChIInChI=1S/C11H15N3O/c1-6(2)14-8(4)7(3)9-10(14)12-5-13-11(9)15/h5-6H,1-4H3,(H,12,13,15)
InChIKeySGJGVYYCGZHHDN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds1

About 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 170991554) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID170991554
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(C(C)C)c2nc[nH]c(=O)c12
InChIInChI=1S/C11H15N3O/c1-6(2)14-8(4)7(3)9-10(14)12-5-13-11(9)15/h5-6H,1-4H3,(H,12,13,15)
InChIKeySGJGVYYCGZHHDN-UHFFFAOYSA-N
XLogP1.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 170991554) is 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n(C(C)C)c2nc[nH]c(=O)c12.
What is the InChIKey of 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is SGJGVYYCGZHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)14-8(4)7(3)9-10(14)12-5-13-11(9)15/h5-6H,1-4H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170991554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).