N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H24N6O2S — CID 80907618

IUPACN-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCc1c(NN)ncnc1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H24N6O2S/c1-5-6-9-10(15-8-16-11(9)17-13)14-7-12(2,3)18-21(4,19)20/h8,18H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRDOZVYIISDRZTK-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.45
Rot. Bonds8

About N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 80907618) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID80907618
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC NameN-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCc1c(NN)ncnc1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H24N6O2S/c1-5-6-9-10(15-8-16-11(9)17-13)14-7-12(2,3)18-21(4,19)20/h8,18H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRDOZVYIISDRZTK-UHFFFAOYSA-N
XLogP0.45
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 55257706
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80925707
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
N-[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79072516
6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
CID 80907775
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 80907618) is N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCCc1c(NN)ncnc1NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is RDOZVYIISDRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-5-6-9-10(15-8-16-11(9)17-13)14-7-12(2,3)18-21(4,19)20/h8,18H,5-7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 80907618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).