4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine

C10H8N4O2S — CID 1090740

IUPAC4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1ccnc(Sc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8N4O2S/c1-7-4-5-11-10(13-7)17-9-3-2-8(6-12-9)14(15)16/h2-6H,1H3
InChIKeyUYDZRLRDOSHFHL-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.24
Rot. Bonds3

About 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine

4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine (PubChem CID 1090740) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine
PubChem CID1090740
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1ccnc(Sc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8N4O2S/c1-7-4-5-11-10(13-7)17-9-3-2-8(6-12-9)14(15)16/h2-6H,1H3
InChIKeyUYDZRLRDOSHFHL-UHFFFAOYSA-N
XLogP2.24
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
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'}

Analyze 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine (CID 1090740) is 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine is Cc1ccnc(Sc2ccc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine?
The InChIKey is UYDZRLRDOSHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-7-4-5-11-10(13-7)17-9-3-2-8(6-12-9)14(15)16/h2-6H,1H3.
What are the key properties of 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine?
4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine has a molecular weight of 248.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyrimidine is sourced from PubChem (CID 1090740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).