2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine

C9H15N5O2S — CID 82380471

IUPAC2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(N2CCC(N)C2)nc1N
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)7-4-12-9(13-8(7)11)14-3-2-6(10)5-14/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13)
InChIKeyUJYMVTJBUJRBQG-UHFFFAOYSA-N
MW257.32 g/mol
LogP-1.00
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine

2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine (PubChem CID 82380471) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine
PubChem CID82380471
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(N2CCC(N)C2)nc1N
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)7-4-12-9(13-8(7)11)14-3-2-6(10)5-14/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13)
InChIKeyUJYMVTJBUJRBQG-UHFFFAOYSA-N
XLogP-1.00
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
CID 82380609
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
2-chloro-5-methylsulfonylpyrimidin-4-amine
CID 87783706
(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
CID 71643772
5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
CID 82386822
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
5-bromo-4-methyl-2-(3-methylsulfonylpyrrolidin-1-yl)pyrimidine
CID 90001474

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine (CID 82380471) is 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1cnc(N2CCC(N)C2)nc1N.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine?
The InChIKey is UJYMVTJBUJRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17(15,16)7-4-12-9(13-8(7)11)14-3-2-6(10)5-14/h4,6H,2-3,5,10H2,1H3,(H2,11,12,13).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine?
2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 82380471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).