(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide

C16H22N6O2S — CID 95842363

IUPAC(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1cc(Nc2ccccn2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-10-15(19-14-6-4-5-8-17-14)20-16(18-12)13-7-9-22(11-13)25(23,24)21(2)3/h4-6,8,10,13H,7,9,11H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyYXYQQXOXYYZHEF-ZDUSSCGKSA-N
MW362.46 g/mol
LogP1.52
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide (PubChem CID 95842363) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
PubChem CID95842363
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1cc(Nc2ccccn2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-10-15(19-14-6-4-5-8-17-14)20-16(18-12)13-7-9-22(11-13)25(23,24)21(2)3/h4-6,8,10,13H,7,9,11H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyYXYQQXOXYYZHEF-ZDUSSCGKSA-N
XLogP1.52
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide (CID 95842363) is (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide is Cc1cc(Nc2ccccn2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The InChIKey is YXYQQXOXYYZHEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-10-15(19-14-6-4-5-8-17-14)20-16(18-12)13-7-9-22(11-13)25(23,24)21(2)3/h4-6,8,10,13H,7,9,11H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).