2-ethyl-4,5-dihydropyrimidine

C6H10N2 — CID 90138124

IUPAC2-ethyl-4,5-dihydropyrimidine
SMILESCCC1=NCCC=N1
InChIInChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h4H,2-3,5H2,1H3
InChIKeyRIQXGPHMWMGDPV-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-4,5-dihydropyrimidine

2-ethyl-4,5-dihydropyrimidine (PubChem CID 90138124) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-ethyl-4,5-dihydropyrimidine
PubChem CID90138124
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-ethyl-4,5-dihydropyrimidine
SMILESCCC1=NCCC=N1
InChIInChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h4H,2-3,5H2,1H3
InChIKeyRIQXGPHMWMGDPV-UHFFFAOYSA-N
XLogP1.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydropyrimidine?
The IUPAC name of 2-ethyl-4,5-dihydropyrimidine (CID 90138124) is 2-ethyl-4,5-dihydropyrimidine.
What is the SMILES notation for 2-ethyl-4,5-dihydropyrimidine?
The canonical SMILES for 2-ethyl-4,5-dihydropyrimidine is CCC1=NCCC=N1.
What is the InChIKey of 2-ethyl-4,5-dihydropyrimidine?
The InChIKey is RIQXGPHMWMGDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-7-4-3-5-8-6/h4H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-4,5-dihydropyrimidine?
2-ethyl-4,5-dihydropyrimidine has a molecular weight of 110.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dihydropyrimidine is sourced from PubChem (CID 90138124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).