methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one

C10H11N5O — CID 142881087

IUPACmethanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one
SMILESCc1ncc(-n2ccncc2=O)cn1.[H]N=C
InChIInChI=1S/C9H8N4O.CH3N/c1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-2/h2-6H,1H3;2H,1H2
InChIKeyPOQHKRWKEUGQBA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.60
Rot. Bonds1

About methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one

methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one (PubChem CID 142881087) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one.

Molecular Properties

Compound Namemethanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one
PubChem CID142881087
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Namemethanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one
SMILESCc1ncc(-n2ccncc2=O)cn1.[H]N=C
InChIInChI=1S/C9H8N4O.CH3N/c1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-2/h2-6H,1H3;2H,1H2
InChIKeyPOQHKRWKEUGQBA-UHFFFAOYSA-N
XLogP0.60
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one?
The IUPAC name of methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one (CID 142881087) is methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one.
What is the SMILES notation for methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one?
The canonical SMILES for methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one is Cc1ncc(-n2ccncc2=O)cn1.[H]N=C.
What is the InChIKey of methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one?
The InChIKey is POQHKRWKEUGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O.CH3N/c1-7-11-4-8(5-12-7)13-3-2-10-6-9(13)14;1-2/h2-6H,1H3;2H,1H2.
What are the key properties of methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one?
methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one has a molecular weight of 217.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;1-(2-methylpyrimidin-5-yl)pyrazin-2-one is sourced from PubChem (CID 142881087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).