ethane;pyrimido[1,6-a]pyrimidin-4-one

C11H17N3O — CID 145119949

IUPACethane;pyrimido[1,6-a]pyrimidin-4-one
SMILESCC.CC.O=c1ccnc2ccncn12
InChIInChI=1S/C7H5N3O.2C2H6/c11-7-2-4-9-6-1-3-8-5-10(6)7;2*1-2/h1-5H;2*1-2H3
InChIKeyCVAKUWSIGAZZHJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.14
Rot. Bonds

About ethane;pyrimido[1,6-a]pyrimidin-4-one

ethane;pyrimido[1,6-a]pyrimidin-4-one (PubChem CID 145119949) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;pyrimido[1,6-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;pyrimido[1,6-a]pyrimidin-4-one
PubChem CID145119949
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;pyrimido[1,6-a]pyrimidin-4-one
SMILESCC.CC.O=c1ccnc2ccncn12
InChIInChI=1S/C7H5N3O.2C2H6/c11-7-2-4-9-6-1-3-8-5-10(6)7;2*1-2/h1-5H;2*1-2H3
InChIKeyCVAKUWSIGAZZHJ-UHFFFAOYSA-N
XLogP2.14
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrimido[1,6-a]pyrimidin-4-one?
The IUPAC name of ethane;pyrimido[1,6-a]pyrimidin-4-one (CID 145119949) is ethane;pyrimido[1,6-a]pyrimidin-4-one.
What is the SMILES notation for ethane;pyrimido[1,6-a]pyrimidin-4-one?
The canonical SMILES for ethane;pyrimido[1,6-a]pyrimidin-4-one is CC.CC.O=c1ccnc2ccncn12.
What is the InChIKey of ethane;pyrimido[1,6-a]pyrimidin-4-one?
The InChIKey is CVAKUWSIGAZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.2C2H6/c11-7-2-4-9-6-1-3-8-5-10(6)7;2*1-2/h1-5H;2*1-2H3.
What are the key properties of ethane;pyrimido[1,6-a]pyrimidin-4-one?
ethane;pyrimido[1,6-a]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrimido[1,6-a]pyrimidin-4-one is sourced from PubChem (CID 145119949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).