2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine

C8H15N5O — CID 80932366

IUPAC2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
SMILESCOCCNc1nc(NN)ncc1C
InChIInChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyQTIIURBBGLNXIH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.13
Rot. Bonds5

About 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine

2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine (PubChem CID 80932366) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
PubChem CID80932366
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
SMILESCOCCNc1nc(NN)ncc1C
InChIInChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyQTIIURBBGLNXIH-UHFFFAOYSA-N
XLogP0.13
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine (CID 80932366) is 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine is COCCNc1nc(NN)ncc1C.
What is the InChIKey of 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
The InChIKey is QTIIURBBGLNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine?
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine has a molecular weight of 197.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80932366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).