5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine

C9H14N4O2S — CID 82386822

IUPAC5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(C2CCNC2)nc1N
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)7-5-12-9(13-8(7)10)6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H2,10,12,13)
InChIKeyAKRCJNCNFPVMNC-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.46
Rot. Bonds2

About 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine

5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 82386822) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID82386822
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(C2CCNC2)nc1N
InChIInChI=1S/C9H14N4O2S/c1-16(14,15)7-5-12-9(13-8(7)10)6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H2,10,12,13)
InChIKeyAKRCJNCNFPVMNC-UHFFFAOYSA-N
XLogP-0.46
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
CID 82380609
2-chloro-5-methylsulfonylpyrimidin-4-amine
CID 87783706
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 92614938
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azepane;hydrochloride
CID 154888601
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95543227
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidine
CID 95543228
2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84732954
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine
CID 82380471
3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117407174

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine (CID 82386822) is 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine is CS(=O)(=O)c1cnc(C2CCNC2)nc1N.
What is the InChIKey of 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is AKRCJNCNFPVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-16(14,15)7-5-12-9(13-8(7)10)6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H2,10,12,13).
What are the key properties of 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine?
5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 242.30 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 82386822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).