(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium

C7H11N4+ — CID 165083909

IUPAC(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
SMILES[H]/N=C/c1cnc(C)nc1[NH2+]C
InChIInChI=1S/C7H10N4/c1-5-10-4-6(3-8)7(9-2)11-5/h3-4,8H,1-2H3,(H,9,10,11)/p+1/b8-3+
InChIKeyVONSGQHZQOJWCQ-FPYGCLRLSA-O
MW151.19 g/mol
LogP-0.39
Rot. Bonds2

About (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium

(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium (PubChem CID 165083909) has the molecular formula C7H11N4+ and a molecular weight of 151.19 g/mol. Its IUPAC name is (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium.

Molecular Properties

Compound Name(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
PubChem CID165083909
Molecular FormulaC7H11N4+
Molecular Weight151.19 g/mol
Exact Mass151.10
IUPAC Name(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
SMILES[H]/N=C/c1cnc(C)nc1[NH2+]C
InChIInChI=1S/C7H10N4/c1-5-10-4-6(3-8)7(9-2)11-5/h3-4,8H,1-2H3,(H,9,10,11)/p+1/b8-3+
InChIKeyVONSGQHZQOJWCQ-FPYGCLRLSA-O
XLogP-0.39
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine
CID 142231884
(4-methyl-3-pyridinyl)methanimine
CID 89161625
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
CID 167506610
3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
CID 137372990
3-chloro-6-methanimidoyl-2-methylaniline
CID 146551332
3-methanimidoyl-5-methylpyridine-2,4-diamine
CID 169111113
3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine
CID 144888773
(6-methyl-2-pyridinyl)methanimine
CID 56972331
N-ethyl-2,4-dimethylpyrimidin-5-amine
CID 171795790

Frequently Asked Questions

What is the IUPAC name of (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium?
The IUPAC name of (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium (CID 165083909) is (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium.
What is the SMILES notation for (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium?
The canonical SMILES for (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium is [H]/N=C/c1cnc(C)nc1[NH2+]C.
What is the InChIKey of (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium?
The InChIKey is VONSGQHZQOJWCQ-FPYGCLRLSA-O. The full InChI is InChI=1S/C7H10N4/c1-5-10-4-6(3-8)7(9-2)11-5/h3-4,8H,1-2H3,(H,9,10,11)/p+1/b8-3+.
What are the key properties of (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium?
(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium has a molecular weight of 151.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium is sourced from PubChem (CID 165083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).