N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine

C7H8N6S — CID 80885005

IUPACN-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6S/c1-8-5-2-6(10-3-9-5)14-7-11-4-12-13-7/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKeyJFVQTPRCYPFOFD-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine

N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80885005) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID80885005
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC NameN-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6S/c1-8-5-2-6(10-3-9-5)14-7-11-4-12-13-7/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKeyJFVQTPRCYPFOFD-UHFFFAOYSA-N
XLogP0.79
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80963035
[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 130551424
N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80884929
6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 80890874
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80883966
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886006
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazine
CID 15141771
3-[6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80891464
6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
CID 80884045
N-methyl-6-trimethylstannylpyrimidin-4-amine
CID 165132397
3-[6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80891111

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine (CID 80885005) is N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine is CNc1cc(Sc2ncn[nH]2)ncn1.
What is the InChIKey of N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is JFVQTPRCYPFOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-8-5-2-6(10-3-9-5)14-7-11-4-12-13-7/h2-4H,1H3,(H,8,9,10)(H,11,12,13).
What are the key properties of N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine?
N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 208.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80885005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).