ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine

C18H33N3 — CID 172584450

IUPACethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine
SMILESC/C=C1/C(C(C)C)=NC(C(C)C)=N/C1=N\CC.C=C.CC
InChIInChI=1S/C14H23N3.C2H6.C2H4/c1-7-11-12(9(3)4)16-13(10(5)6)17-14(11)15-8-2;2*1-2/h7,9-10H,8H2,1-6H3;1-2H3;1-2H2/b11-7-,15-14-;;
InChIKeyREEVHCZWCJYDOC-CEPZHNEVSA-N
MW291.48 g/mol
LogP5.34
Rot. Bonds3

About ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine

ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine (PubChem CID 172584450) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine.

Molecular Properties

Compound Nameethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine
PubChem CID172584450
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Nameethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine
SMILESC/C=C1/C(C(C)C)=NC(C(C)C)=N/C1=N\CC.C=C.CC
InChIInChI=1S/C14H23N3.C2H6.C2H4/c1-7-11-12(9(3)4)16-13(10(5)6)17-14(11)15-8-2;2*1-2/h7,9-10H,8H2,1-6H3;1-2H3;1-2H2/b11-7-,15-14-;;
InChIKeyREEVHCZWCJYDOC-CEPZHNEVSA-N
XLogP5.34
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine?
The IUPAC name of ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine (CID 172584450) is ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine.
What is the SMILES notation for ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine?
The canonical SMILES for ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine is C/C=C1/C(C(C)C)=NC(C(C)C)=N/C1=N\CC.C=C.CC.
What is the InChIKey of ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine?
The InChIKey is REEVHCZWCJYDOC-CEPZHNEVSA-N. The full InChI is InChI=1S/C14H23N3.C2H6.C2H4/c1-7-11-12(9(3)4)16-13(10(5)6)17-14(11)15-8-2;2*1-2/h7,9-10H,8H2,1-6H3;1-2H3;1-2H2/b11-7-,15-14-;;.
What are the key properties of ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine?
ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine has a molecular weight of 291.48 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(5Z)-N-ethyl-5-ethylidene-2,6-di(propan-2-yl)pyrimidin-4-imine is sourced from PubChem (CID 172584450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).