3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane

C12H21N3O — CID 142285345

IUPAC3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane
SMILESCC.CC.Cc1cc2cn(C)c(=O)nc2[nH]1
InChIInChI=1S/C8H9N3O.2C2H6/c1-5-3-6-4-11(2)8(12)10-7(6)9-5;2*1-2/h3-4H,1-2H3,(H,9,10,12);2*1-2H3
InChIKeyFMKWVCCRZLPRHF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds

About 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane

3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane (PubChem CID 142285345) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane.

Molecular Properties

Compound Name3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane
PubChem CID142285345
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane
SMILESCC.CC.Cc1cc2cn(C)c(=O)nc2[nH]1
InChIInChI=1S/C8H9N3O.2C2H6/c1-5-3-6-4-11(2)8(12)10-7(6)9-5;2*1-2/h3-4H,1-2H3,(H,9,10,12);2*1-2H3
InChIKeyFMKWVCCRZLPRHF-UHFFFAOYSA-N
XLogP2.62
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane?
The IUPAC name of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane (CID 142285345) is 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane.
What is the SMILES notation for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane?
The canonical SMILES for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane is CC.CC.Cc1cc2cn(C)c(=O)nc2[nH]1.
What is the InChIKey of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane?
The InChIKey is FMKWVCCRZLPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.2C2H6/c1-5-3-6-4-11(2)8(12)10-7(6)9-5;2*1-2/h3-4H,1-2H3,(H,9,10,12);2*1-2H3.
What are the key properties of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane?
3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane has a molecular weight of 223.32 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;ethane is sourced from PubChem (CID 142285345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).