ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine

C21H38N2 — CID 144633833

IUPACethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C.CC.CC
InChIInChI=1S/C17H26N2.2C2H6/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4;2*1-2/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19);2*1-2H3/b14-9+,16-10+;;
InChIKeyOJDOFPYXORUQSE-BGKCPPARSA-N
MW318.55 g/mol
LogP6.27
Rot. Bonds4

About ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine

ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (PubChem CID 144633833) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.

Molecular Properties

Compound Nameethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
PubChem CID144633833
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Nameethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C.CC.CC
InChIInChI=1S/C17H26N2.2C2H6/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4;2*1-2/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19);2*1-2H3/b14-9+,16-10+;;
InChIKeyOJDOFPYXORUQSE-BGKCPPARSA-N
XLogP6.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2Z,4E)-2-cyclopropyl-4-ethanimidoylhexa-2,4-dien-3-yl]-N-[(2E,4Z)-6-(4-ethylcyclohexyl)hepta-2,4-dien-3-yl]-2-methylbutanimidamide
CID 123233034
ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 145019343
2,6-dimethyl-6-[(5R)-4-methyl-5-[(2S,3R)-3-methylpentan-2-yl]-2-propan-2-ylcyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-pyrimidine
CID 163726822
(7Z)-7-[(1Z)-buta-1,3-dienyl]-8-ethenyl-4,4,6-trimethyl-2-propan-2-yl-1,5-dihydro-1,3-diazocin-6-amine
CID 166818072
N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide
CID 167215336
(6E)-2-tert-butyl-4-ethyl-5,6-di(ethylidene)-4-(2-methylcyclopropyl)-1H-pyrimidine
CID 173721673
(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 144633834
N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide
CID 144904277

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The IUPAC name of ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (CID 144633833) is ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.
What is the SMILES notation for ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The canonical SMILES for ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is C=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C.CC.CC.
What is the InChIKey of ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The InChIKey is OJDOFPYXORUQSE-BGKCPPARSA-N. The full InChI is InChI=1S/C17H26N2.2C2H6/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4;2*1-2/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19);2*1-2H3/b14-9+,16-10+;;.
What are the key properties of ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine has a molecular weight of 318.55 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is sourced from PubChem (CID 144633833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).