5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine

C13H14N4O2S — CID 62231057

IUPAC5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C13H14N4O2S/c1-14-13-15-6-12(7-16-13)20(18,19)17-8-10-4-2-3-5-11(10)9-17/h2-7H,8-9H2,1H3,(H,14,15,16)
InChIKeyZFIPPKFSJCSQLK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.22
Rot. Bonds3

About 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine

5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine (PubChem CID 62231057) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
PubChem CID62231057
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2Cc3ccccc3C2)cn1
InChIInChI=1S/C13H14N4O2S/c1-14-13-15-6-12(7-16-13)20(18,19)17-8-10-4-2-3-5-11(10)9-17/h2-7H,8-9H2,1H3,(H,14,15,16)
InChIKeyZFIPPKFSJCSQLK-UHFFFAOYSA-N
XLogP1.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-chlorobenzyl)-5-pyrimidinesulfonamide
CID 16031269
3-[4-[[[5-Methyl-2-(2-propan-2-ylphenyl)pyrimidin-4-yl]amino]methyl]phenyl]benzenesulfonamide
CID 60167928
3-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823485
3-pyrimidin-5-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823487
3-(2-methoxypyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823516
US11414402, Example 9
CID 137352869
2-amino-N-[(4-fluorophenyl)methyl]pyrimidine-5-sulfonamide
CID 16031235
2-amino-N-benzylpyrimidine-5-sulfonamide
CID 16031257
2-amino-N-[(4-chlorophenyl)methyl]pyrimidine-5-sulfonamide
CID 16031261
2-Amino-N~5~-(2-fluorobenzyl)-5-pyrimidinesulfonamide
CID 16031263
N-methyl-3-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide
CID 53504349
N-benzyl-5-{[(1,1-dioxidotetrahydro-3-thienyl)(ethyl)amino]methyl}-2-pyrimidinamine
CID 70767133

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine (CID 62231057) is 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2Cc3ccccc3C2)cn1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
The InChIKey is ZFIPPKFSJCSQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-14-13-15-6-12(7-16-13)20(18,19)17-8-10-4-2-3-5-11(10)9-17/h2-7H,8-9H2,1H3,(H,14,15,16).
What are the key properties of 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine?
5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine has a molecular weight of 290.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 62231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).