6-ethyl-1H-pyrimidin-2-one;molecular hydrogen

C6H10N2O — CID 144564540

IUPAC6-ethyl-1H-pyrimidin-2-one;molecular hydrogen
SMILESCCc1ccnc(=O)[nH]1.[H][H]
InChIInChI=1S/C6H8N2O.H2/c1-2-5-3-4-7-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);1H
InChIKeyLHAVDWSOESYOFY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.58
Rot. Bonds1

About 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen

6-ethyl-1H-pyrimidin-2-one;molecular hydrogen (PubChem CID 144564540) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name6-ethyl-1H-pyrimidin-2-one;molecular hydrogen
PubChem CID144564540
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name6-ethyl-1H-pyrimidin-2-one;molecular hydrogen
SMILESCCc1ccnc(=O)[nH]1.[H][H]
InChIInChI=1S/C6H8N2O.H2/c1-2-5-3-4-7-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);1H
InChIKeyLHAVDWSOESYOFY-UHFFFAOYSA-N
XLogP0.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen?
The IUPAC name of 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen (CID 144564540) is 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen.
What is the SMILES notation for 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen?
The canonical SMILES for 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen is CCc1ccnc(=O)[nH]1.[H][H].
What is the InChIKey of 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen?
The InChIKey is LHAVDWSOESYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.H2/c1-2-5-3-4-7-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);1H.
What are the key properties of 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen?
6-ethyl-1H-pyrimidin-2-one;molecular hydrogen has a molecular weight of 126.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-pyrimidin-2-one;molecular hydrogen is sourced from PubChem (CID 144564540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).