2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine

C8H15N5O2S — CID 80898571

IUPAC2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCS(C)(=O)=O)nc(NN)n1
InChIInChI=1S/C8H15N5O2S/c1-6-5-7(12-8(11-6)13-9)10-3-4-16(2,14)15/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyQWKTXRSPBCQQQT-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.47
Rot. Bonds5

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

2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 80898571) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID80898571
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCS(C)(=O)=O)nc(NN)n1
InChIInChI=1S/C8H15N5O2S/c1-6-5-7(12-8(11-6)13-9)10-3-4-16(2,14)15/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyQWKTXRSPBCQQQT-UHFFFAOYSA-N
XLogP-0.47
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.47
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

2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80928821
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine (CID 80898571) is 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is Cc1cc(NCCS(C)(=O)=O)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is QWKTXRSPBCQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-6-5-7(12-8(11-6)13-9)10-3-4-16(2,14)15/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 245.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80898571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).