2-methyl-5H-pyrimidin-5-ylium-4-imine

C5H6N3+ — CID 91162217

IUPAC2-methyl-5H-pyrimidin-5-ylium-4-imine
SMILES[H]/N=C1/[CH+]C=NC(C)=N1
InChIInChI=1S/C5H6N3/c1-4-7-3-2-5(6)8-4/h2-3,6H,1H3/q+1/b6-5-
InChIKeyNNZYWEYIBGUTGO-WAYWQWQTSA-N
MW108.12 g/mol
LogP0.67
Rot. Bonds

About 2-methyl-5H-pyrimidin-5-ylium-4-imine

2-methyl-5H-pyrimidin-5-ylium-4-imine (PubChem CID 91162217) has the molecular formula C5H6N3+ and a molecular weight of 108.12 g/mol. Its IUPAC name is 2-methyl-5H-pyrimidin-5-ylium-4-imine.

Molecular Properties

Compound Name2-methyl-5H-pyrimidin-5-ylium-4-imine
PubChem CID91162217
Molecular FormulaC5H6N3+
Molecular Weight108.12 g/mol
Exact Mass108.06
IUPAC Name2-methyl-5H-pyrimidin-5-ylium-4-imine
SMILES[H]/N=C1/[CH+]C=NC(C)=N1
InChIInChI=1S/C5H6N3/c1-4-7-3-2-5(6)8-4/h2-3,6H,1H3/q+1/b6-5-
InChIKeyNNZYWEYIBGUTGO-WAYWQWQTSA-N
XLogP0.67
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydropyrimidinamin
CID 10313081
Diiminodipropylamine
CID 123307968
2,5-Dihydropyrimidin-4-amine
CID 54160096
5-Methylpyrazine-2,3-diimine
CID 68028120
2-Methyl-4,5-dihydropyrimidine
CID 68626206
N-ethylidene-N'-methanimidoylethanimidamide
CID 88586883
N-[(ethylideneamino)methylidene]ethanimidamide
CID 89579297
2-Ethyl-4,5-dihydropyrimidine
CID 90138124
3-imino-N'-methylpropanimidamide
CID 90734526
1-Propylideneguanidine
CID 91307485
5H-pyrimidin-4-imine
CID 101048394
N'-methanimidoyl-N-pentylideneethanimidamide
CID 122435329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-pyrimidin-5-ylium-4-imine?
The IUPAC name of 2-methyl-5H-pyrimidin-5-ylium-4-imine (CID 91162217) is 2-methyl-5H-pyrimidin-5-ylium-4-imine.
What is the SMILES notation for 2-methyl-5H-pyrimidin-5-ylium-4-imine?
The canonical SMILES for 2-methyl-5H-pyrimidin-5-ylium-4-imine is [H]/N=C1/[CH+]C=NC(C)=N1.
What is the InChIKey of 2-methyl-5H-pyrimidin-5-ylium-4-imine?
The InChIKey is NNZYWEYIBGUTGO-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H6N3/c1-4-7-3-2-5(6)8-4/h2-3,6H,1H3/q+1/b6-5-.
What are the key properties of 2-methyl-5H-pyrimidin-5-ylium-4-imine?
2-methyl-5H-pyrimidin-5-ylium-4-imine has a molecular weight of 108.12 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-pyrimidin-5-ylium-4-imine is sourced from PubChem (CID 91162217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).