5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine

C14H16N4O2S — CID 62149543

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C14H16N4O2S/c1-15-14-16-8-13(9-17-14)21(19,20)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,15,16,17)
InChIKeyPVZOVRUQBWSCNC-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.27
Rot. Bonds3

About 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine

5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine (PubChem CID 62149543) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
PubChem CID62149543
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCc3ccccc3C2)cn1
InChIInChI=1S/C14H16N4O2S/c1-15-14-16-8-13(9-17-14)21(19,20)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,15,16,17)
InChIKeyPVZOVRUQBWSCNC-UHFFFAOYSA-N
XLogP1.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62231057
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine
CID 61004578
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-5-methylaniline
CID 43256206
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2,5-dimethyl-1,3-oxazole
CID 110410978

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine (CID 62149543) is 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The InChIKey is PVZOVRUQBWSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-15-14-16-8-13(9-17-14)21(19,20)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,15,16,17).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine has a molecular weight of 304.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 62149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).