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

C17H36N2 — CID 144634167

IUPAC(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
SMILESC/C=C1/NC(C)=NC(C)(C)/C1=C/C.CC.CC.CC
InChIInChI=1S/C11H18N2.3C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;3*1-2/h6-7H,1-5H3,(H,12,13);3*1-2H3/b9-6+,10-7+;;;
InChIKeyAUDXNLGPBKSMED-DIEKQLAJSA-N
MW268.49 g/mol
LogP5.72
Rot. Bonds

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

(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane (PubChem CID 144634167) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane.

Molecular Properties

Compound Name(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
PubChem CID144634167
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
SMILESC/C=C1/NC(C)=NC(C)(C)/C1=C/C.CC.CC.CC
InChIInChI=1S/C11H18N2.3C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;3*1-2/h6-7H,1-5H3,(H,12,13);3*1-2H3/b9-6+,10-7+;;;
InChIKeyAUDXNLGPBKSMED-DIEKQLAJSA-N
XLogP5.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.72
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
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;prop-1-yne
CID 144634348
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane;prop-1-yne
CID 144690026

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane?
The IUPAC name of (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane (CID 144634167) is (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane.
What is the SMILES notation for (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane?
The canonical SMILES for (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane is C/C=C1/NC(C)=NC(C)(C)/C1=C/C.CC.CC.CC.
What is the InChIKey of (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane?
The InChIKey is AUDXNLGPBKSMED-DIEKQLAJSA-N. The full InChI is InChI=1S/C11H18N2.3C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;3*1-2/h6-7H,1-5H3,(H,12,13);3*1-2H3/b9-6+,10-7+;;;.
What are the key properties of (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane?
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane has a molecular weight of 268.49 g/mol, XLogP of 5.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane is sourced from PubChem (CID 144634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).