2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

C12H21N5O2S — CID 81005920

IUPAC2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-8-10(16-13)14-11(9-4-5-9)15-12(8)17(2)6-7-20(3,18)19/h9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyJSRWLXVSWJFIOK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.43
Rot. Bonds6

About 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 81005920) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID81005920
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-8-10(16-13)14-11(9-4-5-9)15-12(8)17(2)6-7-20(3,18)19/h9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyJSRWLXVSWJFIOK-UHFFFAOYSA-N
XLogP0.43
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
1-[[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954212
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 81006384
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80994741
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80984916
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (CID 81005920) is 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is Cc1c(NN)nc(C2CC2)nc1N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is JSRWLXVSWJFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-8-10(16-13)14-11(9-4-5-9)15-12(8)17(2)6-7-20(3,18)19/h9H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 81005920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).