6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine

C12H23N5O2S — CID 80947748

IUPAC6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H23N5O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)20(4,18)19/h7H,5-6,8,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAUZKADVEKAZWOQ-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.95
Rot. Bonds7

About 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine

6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine (PubChem CID 80947748) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
PubChem CID80947748
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H23N5O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)20(4,18)19/h7H,5-6,8,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyAUZKADVEKAZWOQ-UHFFFAOYSA-N
XLogP0.95
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
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-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80943193
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80969115
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
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
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine (CID 80947748) is 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
The InChIKey is AUZKADVEKAZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-5-6-9-15-10(7-11(16-9)17-13)14-8-12(2,3)20(4,18)19/h7H,5-6,8,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).