N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide

C12H19N5O3S — CID 86264645

IUPACN,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C12H19N5O3S/c1-15(2)21(18,19)17-8-10-7-13-12(14-11(10)9-17)16-3-5-20-6-4-16/h7H,3-6,8-9H2,1-2H3
InChIKeySBZANNJAUWLLCT-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.56
Rot. Bonds3

About N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide

N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide (PubChem CID 86264645) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
PubChem CID86264645
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC NameN,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C12H19N5O3S/c1-15(2)21(18,19)17-8-10-7-13-12(14-11(10)9-17)16-3-5-20-6-4-16/h7H,3-6,8-9H2,1-2H3
InChIKeySBZANNJAUWLLCT-UHFFFAOYSA-N
XLogP-0.56
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75436396
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
cyclopropyl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264538
2-ethoxy-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264542
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458
4-[[4-(4-Ethyl-5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]morpholine
CID 126453582
2-(2,2-Difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 88968490
6-Methyl-2-(2,2,2-trifluoroethoxy)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 143529895
ethyl 5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 68171133
4-[2-(2-Tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-fluoropyrimidin-4-yl]morpholine
CID 56749189
4,4,4-trifluoro-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butan-1-one
CID 92071800
2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine
CID 159864235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The IUPAC name of N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide (CID 86264645) is N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide is CN(C)S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The InChIKey is SBZANNJAUWLLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-15(2)21(18,19)17-8-10-7-13-12(14-11(10)9-17)16-3-5-20-6-4-16/h7H,3-6,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 86264645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).