ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C11H17N3O — CID 144823808

IUPACethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCC.Cc1[nH]c2nc(=O)n(C)cc2c1C
InChIInChI=1S/C9H11N3O.C2H6/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8;1-2/h4H,1-3H3,(H,10,11,13);1-2H3
InChIKeyRNDSBISCCHDTLK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.90
Rot. Bonds

About ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 144823808) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Nameethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID144823808
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCC.Cc1[nH]c2nc(=O)n(C)cc2c1C
InChIInChI=1S/C9H11N3O.C2H6/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8;1-2/h4H,1-3H3,(H,10,11,13);1-2H3
InChIKeyRNDSBISCCHDTLK-UHFFFAOYSA-N
XLogP1.90
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 144823808) is ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is CC.Cc1[nH]c2nc(=O)n(C)cc2c1C.
What is the InChIKey of ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is RNDSBISCCHDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8;1-2/h4H,1-3H3,(H,10,11,13);1-2H3.
What are the key properties of ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 144823808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).