N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

C13H19N7O2S — CID 118791027

IUPACN-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCNc1ccnc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)n1
InChIInChI=1S/C13H19N7O2S/c1-14-12-3-4-15-13(17-12)19-5-6-20-11(9-19)7-10(18-20)8-16-23(2,21)22/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15,17)
InChIKeyZGXMUCLVNLGHCO-UHFFFAOYSA-N
MW337.41 g/mol
LogP-0.22
Rot. Bonds5

About N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 118791027) has the molecular formula C13H19N7O2S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID118791027
Molecular FormulaC13H19N7O2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC NameN-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCNc1ccnc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)n1
InChIInChI=1S/C13H19N7O2S/c1-14-12-3-4-15-13(17-12)19-5-6-20-11(9-19)7-10(18-20)8-16-23(2,21)22/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15,17)
InChIKeyZGXMUCLVNLGHCO-UHFFFAOYSA-N
XLogP-0.22
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 118791027) is N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is CNc1ccnc(N2CCn3nc(CNS(C)(=O)=O)cc3C2)n1.
What is the InChIKey of N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is ZGXMUCLVNLGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2S/c1-14-12-3-4-15-13(17-12)19-5-6-20-11(9-19)7-10(18-20)8-16-23(2,21)22/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,14,15,17).
What are the key properties of N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 337.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118791027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).