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

C7H11N3S — CID 911699

IUPACN,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(SC)n1
InChIInChI=1S/C7H11N3S/c1-5-4-6(11-3)10-7(8-2)9-5/h4H,1-3H3,(H,8,9,10)
InChIKeyMXNBLPIMKNHYRB-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.55
Rot. Bonds2

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

N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine (PubChem CID 911699) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
PubChem CID911699
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(SC)n1
InChIInChI=1S/C7H11N3S/c1-5-4-6(11-3)10-7(8-2)9-5/h4H,1-3H3,(H,8,9,10)
InChIKeyMXNBLPIMKNHYRB-UHFFFAOYSA-N
XLogP1.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine (CID 911699) is N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine is CNc1nc(C)cc(SC)n1.
What is the InChIKey of N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine?
The InChIKey is MXNBLPIMKNHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-4-6(11-3)10-7(8-2)9-5/h4H,1-3H3,(H,8,9,10).
What are the key properties of N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine?
N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 911699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).