(5-methylpyrazin-2-yl)methylurea

C7H10N4O — CID 62845946

IUPAC(5-methylpyrazin-2-yl)methylurea
SMILESCc1cnc(CNC(N)=O)cn1
InChIInChI=1S/C7H10N4O/c1-5-2-10-6(3-9-5)4-11-7(8)12/h2-3H,4H2,1H3,(H3,8,11,12)
InChIKeyJSAFFHCXXFDNAH-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.05
Rot. Bonds2

About (5-methylpyrazin-2-yl)methylurea

(5-methylpyrazin-2-yl)methylurea (PubChem CID 62845946) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methylurea.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methylurea
PubChem CID62845946
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name(5-methylpyrazin-2-yl)methylurea
SMILESCc1cnc(CNC(N)=O)cn1
InChIInChI=1S/C7H10N4O/c1-5-2-10-6(3-9-5)4-11-7(8)12/h2-3H,4H2,1H3,(H3,8,11,12)
InChIKeyJSAFFHCXXFDNAH-UHFFFAOYSA-N
XLogP-0.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)methylurea?
The IUPAC name of (5-methylpyrazin-2-yl)methylurea (CID 62845946) is (5-methylpyrazin-2-yl)methylurea.
What is the SMILES notation for (5-methylpyrazin-2-yl)methylurea?
The canonical SMILES for (5-methylpyrazin-2-yl)methylurea is Cc1cnc(CNC(N)=O)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)methylurea?
The InChIKey is JSAFFHCXXFDNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-2-10-6(3-9-5)4-11-7(8)12/h2-3H,4H2,1H3,(H3,8,11,12).
What are the key properties of (5-methylpyrazin-2-yl)methylurea?
(5-methylpyrazin-2-yl)methylurea has a molecular weight of 166.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methylurea is sourced from PubChem (CID 62845946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).