6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C13H22N4S — CID 80791344

IUPAC6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC2C)nc(SC)n1
InChIInChI=1S/C13H22N4S/c1-4-7-14-11-9-12(16-13(15-11)18-3)17-8-5-6-10(17)2/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyNMTWCEMFJZFTSO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.01
Rot. Bonds5

About 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80791344) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80791344
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC2C)nc(SC)n1
InChIInChI=1S/C13H22N4S/c1-4-7-14-11-9-12(16-13(15-11)18-3)17-8-5-6-10(17)2/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyNMTWCEMFJZFTSO-UHFFFAOYSA-N
XLogP3.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83045067
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80826076
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967631
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80789621
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784078
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80843361
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80775506
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80791344) is 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCCC2C)nc(SC)n1.
What is the InChIKey of 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is NMTWCEMFJZFTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-7-14-11-9-12(16-13(15-11)18-3)17-8-5-6-10(17)2/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80791344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).