4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine

C10H14Cl2N2O2 — CID 19794305

IUPAC4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine
SMILESCCOC(Cc1c(Cl)ncnc1Cl)OCC
InChIInChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3
InChIKeyNXUNPWLNJCHHHM-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.72
Rot. Bonds6

About 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine

4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine (PubChem CID 19794305) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine
PubChem CID19794305
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine
SMILESCCOC(Cc1c(Cl)ncnc1Cl)OCC
InChIInChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3
InChIKeyNXUNPWLNJCHHHM-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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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine (CID 19794305) is 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine is CCOC(Cc1c(Cl)ncnc1Cl)OCC.
What is the InChIKey of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
The InChIKey is NXUNPWLNJCHHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine?
4,6-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 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine is sourced from PubChem (CID 19794305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).