(4-methanimidoylpyrimidin-5-yl)methanimine

C6H6N4 — CID 163823387

IUPAC(4-methanimidoylpyrimidin-5-yl)methanimine
SMILES[H]/N=C/c1cncnc1/C=N/[H]
InChIInChI=1S/C6H6N4/c7-1-5-3-9-4-10-6(5)2-8/h1-4,7-8H/b7-1+,8-2+
InChIKeyNXISDBKSVDHZBM-FACPPWRESA-N
MW134.14 g/mol
LogP0.47
Rot. Bonds2

About (4-methanimidoylpyrimidin-5-yl)methanimine

(4-methanimidoylpyrimidin-5-yl)methanimine (PubChem CID 163823387) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is (4-methanimidoylpyrimidin-5-yl)methanimine.

Molecular Properties

Compound Name(4-methanimidoylpyrimidin-5-yl)methanimine
PubChem CID163823387
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name(4-methanimidoylpyrimidin-5-yl)methanimine
SMILES[H]/N=C/c1cncnc1/C=N/[H]
InChIInChI=1S/C6H6N4/c7-1-5-3-9-4-10-6(5)2-8/h1-4,7-8H/b7-1+,8-2+
InChIKeyNXISDBKSVDHZBM-FACPPWRESA-N
XLogP0.47
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methanimidoyl-N-methylpyrimidin-4-amine
CID 142609465
pyrimidin-5-ylmethanimine;hydrochloride
CID 175125065
(4-methyl-3-pyridinyl)methanimine
CID 89161625
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
(4-ethenylpyrimidin-5-yl)diazene
CID 163616341
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
(5-methoxy-1,2,4-triazin-6-yl)methanimine
CID 123446836
(3-propan-2-yl-4-pyridinyl)methanimine
CID 176559448
(1-chloro-5,6,7,8-tetrahydroisoquinolin-4-yl)methanimine
CID 121463135
pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine
CID 162788780
(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
CID 165083909
(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol
CID 143007958

Frequently Asked Questions

What is the IUPAC name of (4-methanimidoylpyrimidin-5-yl)methanimine?
The IUPAC name of (4-methanimidoylpyrimidin-5-yl)methanimine (CID 163823387) is (4-methanimidoylpyrimidin-5-yl)methanimine.
What is the SMILES notation for (4-methanimidoylpyrimidin-5-yl)methanimine?
The canonical SMILES for (4-methanimidoylpyrimidin-5-yl)methanimine is [H]/N=C/c1cncnc1/C=N/[H].
What is the InChIKey of (4-methanimidoylpyrimidin-5-yl)methanimine?
The InChIKey is NXISDBKSVDHZBM-FACPPWRESA-N. The full InChI is InChI=1S/C6H6N4/c7-1-5-3-9-4-10-6(5)2-8/h1-4,7-8H/b7-1+,8-2+.
What are the key properties of (4-methanimidoylpyrimidin-5-yl)methanimine?
(4-methanimidoylpyrimidin-5-yl)methanimine has a molecular weight of 134.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanimidoylpyrimidin-5-yl)methanimine is sourced from PubChem (CID 163823387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).