N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine

C14H17N3S — CID 112559927

IUPACN-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-3-9-18-13-10-12(15-2)16-14(17-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyWQLSSRUTYJTRNO-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.69
Rot. Bonds5

About N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine

N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine (PubChem CID 112559927) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
PubChem CID112559927
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-3-9-18-13-10-12(15-2)16-14(17-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyWQLSSRUTYJTRNO-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine (CID 112559927) is N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine is CCCSc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine?
The InChIKey is WQLSSRUTYJTRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-9-18-13-10-12(15-2)16-14(17-13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine?
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 112559927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).