N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C11H11ClN4S — CID 86231964

IUPACN-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(N(C)c2cccc(Cl)n2)n1
InChIInChI=1S/C11H11ClN4S/c1-16(9-5-3-4-8(12)14-9)10-6-7-13-11(15-10)17-2/h3-7H,1-2H3
InChIKeyLDHCNEFHPPEOQA-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.01
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 86231964) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID86231964
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC NameN-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(N(C)c2cccc(Cl)n2)n1
InChIInChI=1S/C11H11ClN4S/c1-16(9-5-3-4-8(12)14-9)10-6-7-13-11(15-10)17-2/h3-7H,1-2H3
InChIKeyLDHCNEFHPPEOQA-UHFFFAOYSA-N
XLogP3.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 86231964) is N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nccc(N(C)c2cccc(Cl)n2)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is LDHCNEFHPPEOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-16(9-5-3-4-8(12)14-9)10-6-7-13-11(15-10)17-2/h3-7H,1-2H3.
What are the key properties of N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 266.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 86231964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).