N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine

C6H8N4O2S — CID 80886578

IUPACN-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(SC)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O2S/c1-7-5-4(10(11)12)6(13-2)9-3-8-5/h3H,1-2H3,(H,7,8,9)
InChIKeyKYWIQCWYUPYFFO-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.15
Rot. Bonds3

About N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine

N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine (PubChem CID 80886578) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
PubChem CID80886578
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC NameN-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(SC)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O2S/c1-7-5-4(10(11)12)6(13-2)9-3-8-5/h3H,1-2H3,(H,7,8,9)
InChIKeyKYWIQCWYUPYFFO-UHFFFAOYSA-N
XLogP1.15
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-nitro-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887637
N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 113221502
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957
N,N-dimethyl-5-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882840
N-methyl-6-(3-methylcyclohexyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80889990
[6-(methylamino)-5-nitropyrimidin-4-yl] azocane-1-carbodithioate
CID 10193507
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80838636
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
1-methyl-2-[6-(2-methylhydrazinyl)-5-nitropyrimidin-4-yl]hydrazine
CID 101253876
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243
N-methyl-6-[(2-methylpropan-2-yl)oxy]-5-nitropyrimidin-4-amine
CID 80861886

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine (CID 80886578) is N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine is CNc1ncnc(SC)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine?
The InChIKey is KYWIQCWYUPYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-7-5-4(10(11)12)6(13-2)9-3-8-5/h3H,1-2H3,(H,7,8,9).
What are the key properties of N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine?
N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine has a molecular weight of 200.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80886578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).