N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C13H11N5S2 — CID 115916088

IUPACN-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncns2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H11N5S2/c1-14-10-7-11(19-13-15-8-16-20-13)18-12(17-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17,18)
InChIKeyPRTFQBHFHACICT-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 115916088) has the molecular formula C13H11N5S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID115916088
Molecular FormulaC13H11N5S2
Molecular Weight301.40 g/mol
Exact Mass301.05
IUPAC NameN-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncns2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H11N5S2/c1-14-10-7-11(19-13-15-8-16-20-13)18-12(17-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17,18)
InChIKeyPRTFQBHFHACICT-UHFFFAOYSA-N
XLogP3.19
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
N-methyl-2-phenyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 112559939
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine
CID 115916036
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
CID 112559927
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733
N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
CID 115915115
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 115916088) is N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is CNc1cc(Sc2ncns2)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is PRTFQBHFHACICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S2/c1-14-10-7-11(19-13-15-8-16-20-13)18-12(17-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17,18).
What are the key properties of N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 301.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 115916088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).