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

C15H30N2 — CID 144563445

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
InChIInChI=1S/C11H18N2.2C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;2*1-2/h6-7H,1-5H3,(H,12,13);2*1-2H3/b9-6+,10-7+;;
InChIKeyUYORHOHNPWNTMG-OUFZTKPXSA-N
MW238.42 g/mol
LogP4.69
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 144563445) has the molecular formula C15H30N2 and a molecular weight of 238.42 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 CID144563445
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
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
InChIInChI=1S/C11H18N2.2C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;2*1-2/h6-7H,1-5H3,(H,12,13);2*1-2H3/b9-6+,10-7+;;
InChIKeyUYORHOHNPWNTMG-OUFZTKPXSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.69
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
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 143681586
2-methyl-8,9-dihydro-1H-perimidine-6,7-diamine
CID 144243955
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
ethane;(5Z,6E)-6-ethylidene-2-methyl-5-prop-2-enylidene-1,4-dihydropyrimidine
CID 144563363
(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 (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 144563445) 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.
What is the InChIKey of (5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane?
The InChIKey is UYORHOHNPWNTMG-OUFZTKPXSA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-6-9-10(7-2)12-8(3)13-11(9,4)5;2*1-2/h6-7H,1-5H3,(H,12,13);2*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 238.42 g/mol, XLogP of 4.69, 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 144563445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).