2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine

C12H21N5O2S — CID 80969115

IUPAC2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(NN)nc(C2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-12(2,20(3,18)19)7-14-9-6-10(17-13)16-11(15-9)8-4-5-8/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySXMWZTONPIEQQW-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.87
Rot. Bonds6

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

2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine (PubChem CID 80969115) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
PubChem CID80969115
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(NN)nc(C2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-12(2,20(3,18)19)7-14-9-6-10(17-13)16-11(15-9)8-4-5-8/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySXMWZTONPIEQQW-UHFFFAOYSA-N
XLogP0.87
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.87
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'}

Analyze 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80951605
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine (CID 80969115) is 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine is CC(C)(CNc1cc(NN)nc(C2CC2)n1)S(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
The InChIKey is SXMWZTONPIEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-12(2,20(3,18)19)7-14-9-6-10(17-13)16-11(15-9)8-4-5-8/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80969115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).