ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine

C13H24N2 — CID 143303386

IUPACethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
SMILESC=CC(C)(C)C1=C(CC)NC=NC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-5-10-9(7-12-8-13-10)11(3,4)6-2;1-2/h6,8H,2,5,7H2,1,3-4H3,(H,12,13);1-2H3
InChIKeyHELFHXXBBTZEKB-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.52
Rot. Bonds3

About ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine

ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine (PubChem CID 143303386) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
PubChem CID143303386
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
SMILESC=CC(C)(C)C1=C(CC)NC=NC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-5-10-9(7-12-8-13-10)11(3,4)6-2;1-2/h6,8H,2,5,7H2,1,3-4H3,(H,12,13);1-2H3
InChIKeyHELFHXXBBTZEKB-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
CID 90452832
1,4,5,8-Tetrahydroquinazoline
CID 118369126
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
5-Tert-butyl-6-ethenyl-1,4-dihydropyrimidine
CID 142076458
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
CID 164543135
5-Tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
CID 169298204
5,6-Ditert-butyl-1,4-dihydropyrimidine
CID 169298264
N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide
CID 171089154
6-Tert-butyl-1,4-dihydropyrimidin-4-amine
CID 133665032

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine?
The IUPAC name of ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine (CID 143303386) is ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine?
The canonical SMILES for ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine is C=CC(C)(C)C1=C(CC)NC=NC1.CC.
What is the InChIKey of ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine?
The InChIKey is HELFHXXBBTZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-5-10-9(7-12-8-13-10)11(3,4)6-2;1-2/h6,8H,2,5,7H2,1,3-4H3,(H,12,13);1-2H3.
What are the key properties of ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine?
ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine has a molecular weight of 208.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 143303386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).