6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

C12H23N5O2S — CID 80901446

IUPAC6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCN(c1cc(NN)nc(SC)n1)C(C)COC
InChIInChI=1S/C12H23N5O2S/c1-9(8-19-3)17(5-6-18-2)11-7-10(16-13)14-12(15-11)20-4/h7,9H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyYQVBLXGEYRLEEB-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.97
Rot. Bonds9

About 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80901446) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80901446
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCCN(c1cc(NN)nc(SC)n1)C(C)COC
InChIInChI=1S/C12H23N5O2S/c1-9(8-19-3)17(5-6-18-2)11-7-10(16-13)14-12(15-11)20-4/h7,9H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyYQVBLXGEYRLEEB-UHFFFAOYSA-N
XLogP0.97
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyrimidin-4-amine
CID 82965305
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804755
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80795314

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80901446) is 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is COCCN(c1cc(NN)nc(SC)n1)C(C)COC.
What is the InChIKey of 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is YQVBLXGEYRLEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-9(8-19-3)17(5-6-18-2)11-7-10(16-13)14-12(15-11)20-4/h7,9H,5-6,8,13H2,1-4H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80901446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).