6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine

C9H10N8O2S — CID 38741243

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnnn2C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N8O2S/c1-10-7-6(17(18)19)8(12-4-11-7)20-9-13-14-15-16(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyWNGOSWIOFNSDAX-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.90
Rot. Bonds5

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 38741243) has the molecular formula C9H10N8O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
PubChem CID38741243
Molecular FormulaC9H10N8O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnnn2C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N8O2S/c1-10-7-6(17(18)19)8(12-4-11-7)20-9-13-14-15-16(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyWNGOSWIOFNSDAX-UHFFFAOYSA-N
XLogP0.90
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
CID 80886578
N-methyl-5-nitro-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887637
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
1-cyclopropyl-5-(3-ethoxy-4-nitrophenyl)sulfanyltetrazole
CID 133426657
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957
N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 113221502

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine (CID 38741243) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine is CNc1ncnc(Sc2nnnn2C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is WNGOSWIOFNSDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8O2S/c1-10-7-6(17(18)19)8(12-4-11-7)20-9-13-14-15-16(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 294.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 38741243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).