4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine

C6H7ClN6S — CID 12926769

IUPAC4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(SC)c(N=[N+]=[N-])n1
InChIInChI=1S/C6H7ClN6S/c1-9-6-10-4(7)3(14-2)5(11-6)12-13-8/h1-2H3,(H,9,10,11)
InChIKeyGHDGWPPQNQYUAM-UHFFFAOYSA-N
MW230.68 g/mol
LogP2.84
Rot. Bonds3

About 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine

4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine (PubChem CID 12926769) has the molecular formula C6H7ClN6S and a molecular weight of 230.68 g/mol. Its IUPAC name is 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
PubChem CID12926769
Molecular FormulaC6H7ClN6S
Molecular Weight230.68 g/mol
Exact Mass230.01
IUPAC Name4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(SC)c(N=[N+]=[N-])n1
InChIInChI=1S/C6H7ClN6S/c1-9-6-10-4(7)3(14-2)5(11-6)12-13-8/h1-2H3,(H,9,10,11)
InChIKeyGHDGWPPQNQYUAM-UHFFFAOYSA-N
XLogP2.84
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine (CID 12926769) is 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine is CNc1nc(Cl)c(SC)c(N=[N+]=[N-])n1.
What is the InChIKey of 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is GHDGWPPQNQYUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN6S/c1-9-6-10-4(7)3(14-2)5(11-6)12-13-8/h1-2H3,(H,9,10,11).
What are the key properties of 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 230.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 12926769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).