2-ethoxy-1,4,5,6-tetrahydropyrimidine

C6H12N2O — CID 22076682

IUPAC2-ethoxy-1,4,5,6-tetrahydropyrimidine
SMILESCCOC1=NCCCN1
InChIInChI=1S/C6H12N2O/c1-2-9-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyXLIORDMQDSZXCU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds1

About 2-ethoxy-1,4,5,6-tetrahydropyrimidine

2-ethoxy-1,4,5,6-tetrahydropyrimidine (PubChem CID 22076682) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethoxy-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-ethoxy-1,4,5,6-tetrahydropyrimidine
PubChem CID22076682
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethoxy-1,4,5,6-tetrahydropyrimidine
SMILESCCOC1=NCCCN1
InChIInChI=1S/C6H12N2O/c1-2-9-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyXLIORDMQDSZXCU-UHFFFAOYSA-N
XLogP0.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5,6-tetrahydropyrimidin-2-yl propanoate
CID 54446219
2-(iodomethoxy)-4,5-dihydro-1H-imidazole
CID 135291548
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918345
N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111757516
2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine
CID 131187666
1,4,5,6-tetrahydropyrimidin-2-amine
CID 3287412
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 131223239
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-ethoxy-1,4,5,6-tetrahydropyrimidine (CID 22076682) is 2-ethoxy-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-ethoxy-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-ethoxy-1,4,5,6-tetrahydropyrimidine is CCOC1=NCCCN1.
What is the InChIKey of 2-ethoxy-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XLIORDMQDSZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-9-6-7-4-3-5-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of 2-ethoxy-1,4,5,6-tetrahydropyrimidine?
2-ethoxy-1,4,5,6-tetrahydropyrimidine has a molecular weight of 128.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22076682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).