4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine

C7H9Cl2N3S — CID 15567751

IUPAC4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N(C)C)nc1Cl
InChIInChI=1S/C7H9Cl2N3S/c1-12(2)7-10-5(8)4(13-3)6(9)11-7/h1-3H3
InChIKeySUARBYKFCNHIFT-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.57
Rot. Bonds2

About 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine

4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine (PubChem CID 15567751) has the molecular formula C7H9Cl2N3S and a molecular weight of 238.14 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine
PubChem CID15567751
Molecular FormulaC7H9Cl2N3S
Molecular Weight238.14 g/mol
Exact Mass236.99
IUPAC Name4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N(C)C)nc1Cl
InChIInChI=1S/C7H9Cl2N3S/c1-12(2)7-10-5(8)4(13-3)6(9)11-7/h1-3H3
InChIKeySUARBYKFCNHIFT-UHFFFAOYSA-N
XLogP2.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine (CID 15567751) is 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine is CSc1c(Cl)nc(N(C)C)nc1Cl.
What is the InChIKey of 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is SUARBYKFCNHIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S/c1-12(2)7-10-5(8)4(13-3)6(9)11-7/h1-3H3.
What are the key properties of 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine?
4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 238.14 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dimethyl-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 15567751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).