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

C11H21N5S — CID 80937623

IUPAC2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCC(C)CSC)n1
InChIInChI=1S/C11H21N5S/c1-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17-3/h5,8H,4,6-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyIKSZDQAQDYQXHZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.74
Rot. Bonds7

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

2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 80937623) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID80937623
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCC(C)CSC)n1
InChIInChI=1S/C11H21N5S/c1-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17-3/h5,8H,4,6-7,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyIKSZDQAQDYQXHZ-UHFFFAOYSA-N
XLogP1.74
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
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

6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
CID 115916202
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80937078
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113411201
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine (CID 80937623) is 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine is CCc1nc(NN)cc(NCC(C)CSC)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is IKSZDQAQDYQXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-9-14-10(5-11(15-9)16-12)13-6-8(2)7-17-3/h5,8H,4,6-7,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80937623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).