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

C11H15N5S2 — CID 80895254

IUPAC4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nc(C)ns2)n1
InChIInChI=1S/C11H15N5S2/c1-4-5-12-10-13-7(2)6-9(15-10)17-11-14-8(3)16-18-11/h6H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyWCNOQSHVLNGSLN-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.92
Rot. Bonds5

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

4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 80895254) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID80895254
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Sc2nc(C)ns2)n1
InChIInChI=1S/C11H15N5S2/c1-4-5-12-10-13-7(2)6-9(15-10)17-11-14-8(3)16-18-11/h6H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyWCNOQSHVLNGSLN-UHFFFAOYSA-N
XLogP2.92
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
CID 80895426
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995903
N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 80895254) is 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Sc2nc(C)ns2)n1.
What is the InChIKey of 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is WCNOQSHVLNGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-4-5-12-10-13-7(2)6-9(15-10)17-11-14-8(3)16-18-11/h6H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine?
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 281.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80895254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).