4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine

C8H8Cl2N2O2 — CID 156784634

IUPAC4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1C1OCCCO1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-5(7(10)12-4-11-6)8-13-2-1-3-14-8/h4,8H,1-3H2
InChIKeyCWBLLQLFGHVKOE-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.22
Rot. Bonds1

About 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine

4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine (PubChem CID 156784634) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine
PubChem CID156784634
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine
SMILESClc1ncnc(Cl)c1C1OCCCO1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-5(7(10)12-4-11-6)8-13-2-1-3-14-8/h4,8H,1-3H2
InChIKeyCWBLLQLFGHVKOE-UHFFFAOYSA-N
XLogP2.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine (CID 156784634) is 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine is Clc1ncnc(Cl)c1C1OCCCO1.
What is the InChIKey of 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine?
The InChIKey is CWBLLQLFGHVKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-6-5(7(10)12-4-11-6)8-13-2-1-3-14-8/h4,8H,1-3H2.
What are the key properties of 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine?
4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine has a molecular weight of 235.07 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(1,3-dioxan-2-yl)pyrimidine is sourced from PubChem (CID 156784634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).