N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine

C6H8N4OS — CID 142231884

IUPACN-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine
SMILES[H]/N=C/c1cnc(SC)nc1NO
InChIInChI=1S/C6H8N4OS/c1-12-6-8-3-4(2-7)5(9-6)10-11/h2-3,7,11H,1H3,(H,8,9,10)/b7-2+
InChIKeyVTBTZAMYKKUYFY-FARCUNLSSA-N
MW184.22 g/mol
LogP1.00
Rot. Bonds3

About N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine

N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine (PubChem CID 142231884) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine
PubChem CID142231884
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC NameN-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine
SMILES[H]/N=C/c1cnc(SC)nc1NO
InChIInChI=1S/C6H8N4OS/c1-12-6-8-3-4(2-7)5(9-6)10-11/h2-3,7,11H,1H3,(H,8,9,10)/b7-2+
InChIKeyVTBTZAMYKKUYFY-FARCUNLSSA-N
XLogP1.00
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol
CID 157091027
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
ethane;5-methanimidoyl-N-methylpyrimidin-4-amine
CID 142609465
4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 10728927
methyl (E)-3-[4-[(2-hydroxy-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate
CID 150644989
4-[(4-methoxycyclohexyl)amino]-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 169232430
CID 173112578
CID 173112578
(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
CID 165083909
2-methylsulfanyl-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 12784085
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
4-(3-aminosulfanylanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 164926217

Frequently Asked Questions

What is the IUPAC name of N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine?
The IUPAC name of N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine (CID 142231884) is N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine.
What is the SMILES notation for N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine?
The canonical SMILES for N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine is [H]/N=C/c1cnc(SC)nc1NO.
What is the InChIKey of N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine?
The InChIKey is VTBTZAMYKKUYFY-FARCUNLSSA-N. The full InChI is InChI=1S/C6H8N4OS/c1-12-6-8-3-4(2-7)5(9-6)10-11/h2-3,7,11H,1H3,(H,8,9,10)/b7-2+.
What are the key properties of N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine?
N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine has a molecular weight of 184.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methanimidoyl-2-methylsulfanylpyrimidin-4-yl)hydroxylamine is sourced from PubChem (CID 142231884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).