ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine

C10H18N4O — CID 178051736

IUPACethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine
SMILESCC(C)OC1=CN/C(=C/N)N=C1.[H]/N=C/C
InChIInChI=1S/C8H13N3O.C2H5N/c1-6(2)12-7-4-10-8(3-9)11-5-7;1-2-3/h3-6,10H,9H2,1-2H3;2-3H,1H3/b8-3-;3-2+
InChIKeyWHWRFLKPZSLMTI-NQXWXHKLSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds2

About ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine

ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine (PubChem CID 178051736) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine.

Molecular Properties

Compound Nameethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine
PubChem CID178051736
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Nameethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine
SMILESCC(C)OC1=CN/C(=C/N)N=C1.[H]/N=C/C
InChIInChI=1S/C8H13N3O.C2H5N/c1-6(2)12-7-4-10-8(3-9)11-5-7;1-2-3/h3-6,10H,9H2,1-2H3;2-3H,1H3/b8-3-;3-2+
InChIKeyWHWRFLKPZSLMTI-NQXWXHKLSA-N
XLogP1.34
TPSA83.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine?
The IUPAC name of ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine (CID 178051736) is ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine.
What is the SMILES notation for ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine?
The canonical SMILES for ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine is CC(C)OC1=CN/C(=C/N)N=C1.[H]/N=C/C.
What is the InChIKey of ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine?
The InChIKey is WHWRFLKPZSLMTI-NQXWXHKLSA-N. The full InChI is InChI=1S/C8H13N3O.C2H5N/c1-6(2)12-7-4-10-8(3-9)11-5-7;1-2-3/h3-6,10H,9H2,1-2H3;2-3H,1H3/b8-3-;3-2+.
What are the key properties of ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine?
ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine has a molecular weight of 210.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimine;(Z)-(5-propan-2-yloxy-1H-pyrimidin-2-ylidene)methanamine is sourced from PubChem (CID 178051736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).