6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine

C10H16N4S — CID 80798063

IUPAC6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCC(C)C2)n1
InChIInChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyXGVFUVHURVJTCT-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.63
Rot. Bonds2

About 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine

6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80798063) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80798063
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCC(C)C2)n1
InChIInChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyXGVFUVHURVJTCT-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798590
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 81469287
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847671
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80816748
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 144717519
[(4aS,8aS)-7-(6-amino-2-methylsulfanylpyrimidin-4-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135093502
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80798063) is 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(N2CCC(C)C2)n1.
What is the InChIKey of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XGVFUVHURVJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 224.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80798063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).