2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

C12H18N6O2 — CID 106378988

IUPAC2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-3-19-7-11-16-9(4-10(17-11)18-13)14-6-12-15-5-8(2)20-12/h4-5H,3,6-7,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyDZCPMCSGAFYWNZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.21
Rot. Bonds7

About 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106378988) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106378988
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-3-19-7-11-16-9(4-10(17-11)18-13)14-6-12-15-5-8(2)20-12/h4-5H,3,6-7,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyDZCPMCSGAFYWNZ-UHFFFAOYSA-N
XLogP1.21
TPSA111.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106378988) is 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is CCOCc1nc(NN)cc(NCc2ncc(C)o2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DZCPMCSGAFYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-19-7-11-16-9(4-10(17-11)18-13)14-6-12-15-5-8(2)20-12/h4-5H,3,6-7,13H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 278.32 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106378988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).