2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine

C10H14Cl2N2O2 — CID 15405058

IUPAC2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine
SMILESCCOC(Cc1cnc(Cl)nc1Cl)OCC
InChIInChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-6-13-10(12)14-9(7)11/h6,8H,3-5H2,1-2H3
InChIKeyDGYILVBFTFXDHP-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.72
Rot. Bonds6

About 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine

2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine (PubChem CID 15405058) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine
PubChem CID15405058
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine
SMILESCCOC(Cc1cnc(Cl)nc1Cl)OCC
InChIInChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-6-13-10(12)14-9(7)11/h6,8H,3-5H2,1-2H3
InChIKeyDGYILVBFTFXDHP-UHFFFAOYSA-N
XLogP2.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-Dichloropyrimidin-5-yl)ethyl acetate
CID 57396089
(6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
CID 26604
2-(2,4-Dichloropyrimidin-5-yl)ethanol
CID 57399552
4,6-Dichloro-5-(2,2-diethoxyethyl)pyrimidine
CID 19794305
Ethyl 2-(4-chloropyrimidin-5-YL)acetate
CID 46856293
6-Chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 134693311
2,4-Dichloro-5-(3-fluorooxetan-3-yl)pyrimidine
CID 169118936
[2-(4-Chloropyrimidin-5-yl)-3,3,3-trifluoropropyl] formate
CID 174841981
Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate
CID 817777
2-Pyrimidinamine, 4,6-dichloro-5-(2,2-diethoxyethyl)-
CID 11580006
2-Chloro-5-(2,2-dimethoxy-ethyl)-pyrimidin-4-ylamine
CID 18450006
2-Chloro-5-(2-methoxyethyl)pyrimidine
CID 20483412

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine (CID 15405058) is 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine is CCOC(Cc1cnc(Cl)nc1Cl)OCC.
What is the InChIKey of 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The InChIKey is DGYILVBFTFXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-6-13-10(12)14-9(7)11/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine has a molecular weight of 265.14 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2,2-diethoxyethyl)pyrimidine is sourced from PubChem (CID 15405058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).