2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

C11H19N5S — CID 80937827

IUPAC2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(N(C)C2CCSC2)n1
InChIInChI=1S/C11H19N5S/c1-3-9-13-10(15-12)6-11(14-9)16(2)8-4-5-17-7-8/h6,8H,3-5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyDUXZOTOWFKWIDT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.27
Rot. Bonds4

About 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 80937827) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID80937827
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(N(C)C2CCSC2)n1
InChIInChI=1S/C11H19N5S/c1-3-9-13-10(15-12)6-11(14-9)16(2)8-4-5-17-7-8/h6,8H,3-5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyDUXZOTOWFKWIDT-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-cyclopropyl-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80940513
2-ethyl-6-hydrazinyl-N,N-dimethylpyrimidin-4-amine
CID 80937245
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
N-(3,5-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936991
2-ethyl-N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936913
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine
CID 129367917
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 113401943
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80938004
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 80937827) is 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is CCc1nc(NN)cc(N(C)C2CCSC2)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is DUXZOTOWFKWIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-3-9-13-10(15-12)6-11(14-9)16(2)8-4-5-17-7-8/h6,8H,3-5,7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 253.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80937827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).