methyl pyrimidine-2-carboximidate

C6H7N3O — CID 45080302

IUPACmethyl pyrimidine-2-carboximidate
SMILES[H]/N=C(\OC)c1ncccn1
InChIInChI=1S/C6H7N3O/c1-10-5(7)6-8-3-2-4-9-6/h2-4,7H,1H3/b7-5-
InChIKeySXUCJVNNFMMUPW-ALCCZGGFSA-N
MW137.14 g/mol
LogP0.45
Rot. Bonds1

About methyl pyrimidine-2-carboximidate

methyl pyrimidine-2-carboximidate (PubChem CID 45080302) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is methyl pyrimidine-2-carboximidate.

Molecular Properties

Compound Namemethyl pyrimidine-2-carboximidate
PubChem CID45080302
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Namemethyl pyrimidine-2-carboximidate
SMILES[H]/N=C(\OC)c1ncccn1
InChIInChI=1S/C6H7N3O/c1-10-5(7)6-8-3-2-4-9-6/h2-4,7H,1H3/b7-5-
InChIKeySXUCJVNNFMMUPW-ALCCZGGFSA-N
XLogP0.45
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl pyrimidine-2-carboximidate?
The IUPAC name of methyl pyrimidine-2-carboximidate (CID 45080302) is methyl pyrimidine-2-carboximidate.
What is the SMILES notation for methyl pyrimidine-2-carboximidate?
The canonical SMILES for methyl pyrimidine-2-carboximidate is [H]/N=C(\OC)c1ncccn1.
What is the InChIKey of methyl pyrimidine-2-carboximidate?
The InChIKey is SXUCJVNNFMMUPW-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7N3O/c1-10-5(7)6-8-3-2-4-9-6/h2-4,7H,1H3/b7-5-.
What are the key properties of methyl pyrimidine-2-carboximidate?
methyl pyrimidine-2-carboximidate has a molecular weight of 137.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrimidine-2-carboximidate is sourced from PubChem (CID 45080302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).