N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

C16H15N5O2S — CID 58478363

IUPACN-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
SMILESCS(=O)(=O)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)21-8-13-15(9-21)18-10-19-16(13)20-12-6-11-4-2-3-5-14(11)17-7-12/h2-7,10H,8-9H2,1H3,(H,18,19,20)
InChIKeyHNXWQDYQLQITGI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.04
Rot. Bonds3

About N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (PubChem CID 58478363) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
PubChem CID58478363
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
SMILESCS(=O)(=O)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)21-8-13-15(9-21)18-10-19-16(13)20-12-6-11-4-2-3-5-14(11)17-7-12/h2-7,10H,8-9H2,1H3,(H,18,19,20)
InChIKeyHNXWQDYQLQITGI-UHFFFAOYSA-N
XLogP2.04
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The IUPAC name of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (CID 58478363) is N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.
What is the SMILES notation for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The canonical SMILES for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is CS(=O)(=O)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1.
What is the InChIKey of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The InChIKey is HNXWQDYQLQITGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-24(22,23)21-8-13-15(9-21)18-10-19-16(13)20-12-6-11-4-2-3-5-14(11)17-7-12/h2-7,10H,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine has a molecular weight of 341.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 58478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).