ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine

C18H38N2 — CID 145019362

IUPACethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine
SMILESC/C=C1/NC(C)=NC(C)(C)/C1=C/CC.CC.CC.CC
InChIInChI=1S/C12H20N2.3C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;3*1-2/h7-8H,6H2,1-5H3,(H,13,14);3*1-2H3/b10-8+,11-7+;;;
InChIKeyHRMJXXPQIXIERD-ITMSIYTMSA-N
MW282.52 g/mol
LogP6.11
Rot. Bonds1

About ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine

ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine (PubChem CID 145019362) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine.

Molecular Properties

Compound Nameethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine
PubChem CID145019362
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nameethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine
SMILESC/C=C1/NC(C)=NC(C)(C)/C1=C/CC.CC.CC.CC
InChIInChI=1S/C12H20N2.3C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;3*1-2/h7-8H,6H2,1-5H3,(H,13,14);3*1-2H3/b10-8+,11-7+;;;
InChIKeyHRMJXXPQIXIERD-ITMSIYTMSA-N
XLogP6.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-2,4,4,7-tetramethyl-6,7-dihydro-1H-quinazoline
CID 132060880
5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 143681586
ethane;N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
CID 143995417
ethane;N-[(4Z,5E)-7-imino-2,5-dimethyl-4-propylideneocta-2,5-dien-3-yl]-N'-methylethanimidamide
CID 144004613
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144563445
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane;prop-1-yne
CID 144563688
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-prop-2-enylidene-1H-pyrimidine
CID 144594025
ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
CID 144633870
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-propylidene-1H-pyrimidine
CID 144633934
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144634167
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne
CID 144634348

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine?
The IUPAC name of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine (CID 145019362) is ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine.
What is the SMILES notation for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine?
The canonical SMILES for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine is C/C=C1/NC(C)=NC(C)(C)/C1=C/CC.CC.CC.CC.
What is the InChIKey of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine?
The InChIKey is HRMJXXPQIXIERD-ITMSIYTMSA-N. The full InChI is InChI=1S/C12H20N2.3C2H6/c1-6-8-10-11(7-2)13-9(3)14-12(10,4)5;3*1-2/h7-8H,6H2,1-5H3,(H,13,14);3*1-2H3/b10-8+,11-7+;;;.
What are the key properties of ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine?
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine has a molecular weight of 282.52 g/mol, XLogP of 6.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine is sourced from PubChem (CID 145019362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).