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

C12H24N6O2S — CID 80944898

IUPACN-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCc1nc(NN)cc(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C12H24N6O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)18-21(4,19)20/h7,18H,5-6,8,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyXNGZPKYGHDXVCF-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.45
Rot. Bonds8

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

N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 80944898) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID80944898
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC NameN-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCc1nc(NN)cc(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C12H24N6O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)18-21(4,19)20/h7,18H,5-6,8,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyXNGZPKYGHDXVCF-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

6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80943193
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 55257706
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80907618
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 80944898) is N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCCc1nc(NN)cc(NCC(C)(C)NS(C)(=O)=O)n1.
What is the InChIKey of N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is XNGZPKYGHDXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)18-21(4,19)20/h7,18H,5-6,8,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(6-hydrazinyl-2-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-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 80944898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).