ethane;5-methanimidoyl-N-methylpyrimidin-4-amine

C8H14N4 — CID 142609465

IUPACethane;5-methanimidoyl-N-methylpyrimidin-4-amine
SMILESCC.[H]/N=C/c1cncnc1NC
InChIInChI=1S/C6H8N4.C2H6/c1-8-6-5(2-7)3-9-4-10-6;1-2/h2-4,7H,1H3,(H,8,9,10);1-2H3/b7-2+;
InChIKeyYKLPWHYYTOQFQA-NIBQXPITSA-N
MW166.23 g/mol
LogP1.54
Rot. Bonds2

About ethane;5-methanimidoyl-N-methylpyrimidin-4-amine

ethane;5-methanimidoyl-N-methylpyrimidin-4-amine (PubChem CID 142609465) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is ethane;5-methanimidoyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;5-methanimidoyl-N-methylpyrimidin-4-amine
PubChem CID142609465
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameethane;5-methanimidoyl-N-methylpyrimidin-4-amine
SMILESCC.[H]/N=C/c1cncnc1NC
InChIInChI=1S/C6H8N4.C2H6/c1-8-6-5(2-7)3-9-4-10-6;1-2/h2-4,7H,1H3,(H,8,9,10);1-2H3/b7-2+;
InChIKeyYKLPWHYYTOQFQA-NIBQXPITSA-N
XLogP1.54
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;5-methanimidoyl-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
(4-methyl-3-pyridinyl)methanimine
CID 89161625
N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine
CID 142231884
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
pyrimidin-5-ylmethanimine;hydrochloride
CID 175125065
(1R)-1-[3-[2-[(5-methanimidoylpyrimidin-4-yl)amino]ethyl]cyclobutyl]-3-phenylpropan-1-ol
CID 143007958
N-methyl-5-pyridin-4-ylpyrimidin-4-amine
CID 83697189
ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine
CID 144945492
3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine
CID 145228930
(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
CID 165083909
3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine
CID 144888773
5-(furan-2-yl)-N-methylpyrimidin-4-amine
CID 83695709

Frequently Asked Questions

What is the IUPAC name of ethane;5-methanimidoyl-N-methylpyrimidin-4-amine?
The IUPAC name of ethane;5-methanimidoyl-N-methylpyrimidin-4-amine (CID 142609465) is ethane;5-methanimidoyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for ethane;5-methanimidoyl-N-methylpyrimidin-4-amine?
The canonical SMILES for ethane;5-methanimidoyl-N-methylpyrimidin-4-amine is CC.[H]/N=C/c1cncnc1NC.
What is the InChIKey of ethane;5-methanimidoyl-N-methylpyrimidin-4-amine?
The InChIKey is YKLPWHYYTOQFQA-NIBQXPITSA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c1-8-6-5(2-7)3-9-4-10-6;1-2/h2-4,7H,1H3,(H,8,9,10);1-2H3/b7-2+;.
What are the key properties of ethane;5-methanimidoyl-N-methylpyrimidin-4-amine?
ethane;5-methanimidoyl-N-methylpyrimidin-4-amine has a molecular weight of 166.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methanimidoyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 142609465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).