N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

C9H11N5S2 — CID 80894498

IUPACN,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2nc(C)ns2)c1C
InChIInChI=1S/C9H11N5S2/c1-5-7(10-3)11-4-12-8(5)15-9-13-6(2)14-16-9/h4H,1-3H3,(H,10,11,12)
InChIKeyRJWAVIBSOWOLKN-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.14
Rot. Bonds3

About N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80894498) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80894498
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2nc(C)ns2)c1C
InChIInChI=1S/C9H11N5S2/c1-5-7(10-3)11-4-12-8(5)15-9-13-6(2)14-16-9/h4H,1-3H3,(H,10,11,12)
InChIKeyRJWAVIBSOWOLKN-UHFFFAOYSA-N
XLogP2.14
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80895352
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80882227
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80994486
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (CID 80894498) is N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is CNc1ncnc(Sc2nc(C)ns2)c1C.
What is the InChIKey of N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is RJWAVIBSOWOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-5-7(10-3)11-4-12-8(5)15-9-13-6(2)14-16-9/h4H,1-3H3,(H,10,11,12).
What are the key properties of N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80894498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).