ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine

C9H18N2 — CID 170645003

IUPACethane;5-ethyl-2-methyl-1,2-dihydropyrimidine
SMILESCC.CCC1=CNC(C)N=C1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7-4-8-6(2)9-5-7;1-2/h4-6,8H,3H2,1-2H3;1-2H3
InChIKeyFQPIFFPRLOZRSI-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds1

About ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine

ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine (PubChem CID 170645003) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-1,2-dihydropyrimidine
PubChem CID170645003
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;5-ethyl-2-methyl-1,2-dihydropyrimidine
SMILESCC.CCC1=CNC(C)N=C1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7-4-8-6(2)9-5-7;1-2/h4-6,8H,3H2,1-2H3;1-2H3
InChIKeyFQPIFFPRLOZRSI-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine?
The IUPAC name of ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine (CID 170645003) is ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine?
The canonical SMILES for ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine is CC.CCC1=CNC(C)N=C1.
What is the InChIKey of ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine?
The InChIKey is FQPIFFPRLOZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-7-4-8-6(2)9-5-7;1-2/h4-6,8H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine?
ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine has a molecular weight of 154.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 170645003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).