2-chloro-5-ethyl-1,4-dihydropyrimidine

C6H9ClN2 — CID 90758518

IUPAC2-chloro-5-ethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(Cl)=NC1
InChIInChI=1S/C6H9ClN2/c1-2-5-3-8-6(7)9-4-5/h3H,2,4H2,1H3,(H,8,9)
InChIKeyMLFXGVFVBDNCLI-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.48
Rot. Bonds1

About 2-chloro-5-ethyl-1,4-dihydropyrimidine

2-chloro-5-ethyl-1,4-dihydropyrimidine (PubChem CID 90758518) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-5-ethyl-1,4-dihydropyrimidine
PubChem CID90758518
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name2-chloro-5-ethyl-1,4-dihydropyrimidine
SMILESCCC1=CNC(Cl)=NC1
InChIInChI=1S/C6H9ClN2/c1-2-5-3-8-6(7)9-4-5/h3H,2,4H2,1H3,(H,8,9)
InChIKeyMLFXGVFVBDNCLI-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
5-Methyl-1,4-dihydropyrimidine
CID 57014191
5-Propan-2-yl-1,4-dihydropyrimidine
CID 57122773
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
(5-Ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
CID 58832406
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
5-Ethyl-2-methoxy-1,4-dihydropyrimidine
CID 89129972
5-Ethyl-1,4-dihydropyrimidin-2-amine
CID 89374650
4,5-Dimethyl-1,4-dihydropyrimidin-2-amine
CID 89750365
5-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750434
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
5-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 90784051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-1,4-dihydropyrimidine?
The IUPAC name of 2-chloro-5-ethyl-1,4-dihydropyrimidine (CID 90758518) is 2-chloro-5-ethyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-chloro-5-ethyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-chloro-5-ethyl-1,4-dihydropyrimidine is CCC1=CNC(Cl)=NC1.
What is the InChIKey of 2-chloro-5-ethyl-1,4-dihydropyrimidine?
The InChIKey is MLFXGVFVBDNCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-2-5-3-8-6(7)9-4-5/h3H,2,4H2,1H3,(H,8,9).
What are the key properties of 2-chloro-5-ethyl-1,4-dihydropyrimidine?
2-chloro-5-ethyl-1,4-dihydropyrimidine has a molecular weight of 144.60 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 90758518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).