N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide

C16H21N5O2S — CID 50950033

IUPACN,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc2c(n1)CCN2c1ccccc1
InChIInChI=1S/C16H21N5O2S/c1-20(2)24(22,23)11-9-17-16-18-12-15-14(19-16)8-10-21(15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18,19)
InChIKeyMUIQPECAABPLPI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.47
Rot. Bonds6

About N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide

N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide (PubChem CID 50950033) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide
PubChem CID50950033
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc2c(n1)CCN2c1ccccc1
InChIInChI=1S/C16H21N5O2S/c1-20(2)24(22,23)11-9-17-16-18-12-15-14(19-16)8-10-21(15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18,19)
InChIKeyMUIQPECAABPLPI-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide (CID 50950033) is N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNc1ncc2c(n1)CCN2c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide?
The InChIKey is MUIQPECAABPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20(2)24(22,23)11-9-17-16-18-12-15-14(19-16)8-10-21(15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18,19).
What are the key properties of N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 50950033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).