2-methyl-5-methylidenepyrimidin-4-imine

C6H7N3 — CID 4635105

IUPAC2-methyl-5-methylidenepyrimidin-4-imine
SMILES[H]/N=C1\N=C(C)N=CC1=C
InChIInChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3/b7-6-
InChIKeyAXFPKNUSOMMYRV-SREVYHEPSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds

About 2-methyl-5-methylidenepyrimidin-4-imine

2-methyl-5-methylidenepyrimidin-4-imine (PubChem CID 4635105) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-methyl-5-methylidenepyrimidin-4-imine.

Molecular Properties

Compound Name2-methyl-5-methylidenepyrimidin-4-imine
PubChem CID4635105
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2-methyl-5-methylidenepyrimidin-4-imine
SMILES[H]/N=C1\N=C(C)N=CC1=C
InChIInChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3/b7-6-
InChIKeyAXFPKNUSOMMYRV-SREVYHEPSA-N
XLogP1.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-5-methylidenepyrimidin-4-imine?
The IUPAC name of 2-methyl-5-methylidenepyrimidin-4-imine (CID 4635105) is 2-methyl-5-methylidenepyrimidin-4-imine.
What is the SMILES notation for 2-methyl-5-methylidenepyrimidin-4-imine?
The canonical SMILES for 2-methyl-5-methylidenepyrimidin-4-imine is [H]/N=C1\N=C(C)N=CC1=C.
What is the InChIKey of 2-methyl-5-methylidenepyrimidin-4-imine?
The InChIKey is AXFPKNUSOMMYRV-SREVYHEPSA-N. The full InChI is InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3/b7-6-.
What are the key properties of 2-methyl-5-methylidenepyrimidin-4-imine?
2-methyl-5-methylidenepyrimidin-4-imine has a molecular weight of 121.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenepyrimidin-4-imine is sourced from PubChem (CID 4635105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).