5,6-dimethyl-1,4-dihydropyrimidine;ethane

C8H16N2 — CID 91034579

IUPAC5,6-dimethyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=C(C)NC=NC1
InChIInChI=1S/C6H10N2.C2H6/c1-5-3-7-4-8-6(5)2;1-2/h4H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyISLRQAGZHYJRSC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds

About 5,6-dimethyl-1,4-dihydropyrimidine;ethane

5,6-dimethyl-1,4-dihydropyrimidine;ethane (PubChem CID 91034579) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,6-dimethyl-1,4-dihydropyrimidine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-1,4-dihydropyrimidine;ethane
PubChem CID91034579
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5,6-dimethyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=C(C)NC=NC1
InChIInChI=1S/C6H10N2.C2H6/c1-5-3-7-4-8-6(5)2;1-2/h4H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyISLRQAGZHYJRSC-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-1,4-dihydropyrimidine
CID 58863324
N,6-dimethyl-1,4-dihydropyrimidin-5-amine
CID 89418734
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
5,6-Dimethyl-1,4-dihydropyrimidin-4-amine
CID 90453936
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
CID 138709659
6-Methyl-1,4-dihydropyrimidin-5-amine
CID 142030297
6-Methyl-1,4-dihydropyrimidine-4,5-diamine
CID 154521869
N-(2,3-dimethylbut-2-enyl)-N'-methylmethanimidamide
CID 156242070
(8E)-8,9-dimethyl-4,5,6,7-tetrahydro-1H-1,3,6-triazonine
CID 156403823
ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide
CID 165120354
6-Ethyl-4,5-dimethyl-1,4-dihydropyrimidine
CID 142218563

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,4-dihydropyrimidine;ethane?
The IUPAC name of 5,6-dimethyl-1,4-dihydropyrimidine;ethane (CID 91034579) is 5,6-dimethyl-1,4-dihydropyrimidine;ethane.
What is the SMILES notation for 5,6-dimethyl-1,4-dihydropyrimidine;ethane?
The canonical SMILES for 5,6-dimethyl-1,4-dihydropyrimidine;ethane is CC.CC1=C(C)NC=NC1.
What is the InChIKey of 5,6-dimethyl-1,4-dihydropyrimidine;ethane?
The InChIKey is ISLRQAGZHYJRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-5-3-7-4-8-6(5)2;1-2/h4H,3H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of 5,6-dimethyl-1,4-dihydropyrimidine;ethane?
5,6-dimethyl-1,4-dihydropyrimidine;ethane has a molecular weight of 140.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,4-dihydropyrimidine;ethane is sourced from PubChem (CID 91034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).