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

C9H12Cl2N2O — CID 88580536

IUPAC4,6-dichloro-5-(2-ethoxypropyl)pyrimidine
SMILESCCOC(C)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-3-14-6(2)4-7-8(10)12-5-13-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyIPGUIMUDXMKTOC-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.75
Rot. Bonds4

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

4,6-dichloro-5-(2-ethoxypropyl)pyrimidine (PubChem CID 88580536) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-ethoxypropyl)pyrimidine
PubChem CID88580536
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4,6-dichloro-5-(2-ethoxypropyl)pyrimidine
SMILESCCOC(C)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-3-14-6(2)4-7-8(10)12-5-13-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyIPGUIMUDXMKTOC-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-5-(2,2-diethoxyethyl)pyrimidine
CID 19794305
4,6-Dichloro-5-(1-fluoro-2-methylpropyl)pyrimidine
CID 129899904
3-(4,6-Dichloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
CID 165673887
3-[4-Chloro-6-(dimethylamino)pyrimidin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 165765348
5-Butyl-4,6-dichloropyrimidine
CID 1714221
4,6-Dichloro-5-(2,2-dimethoxypropyl)-2-methylpyrimidine
CID 22943311
4,6-Dichloro-5-propylpyrimidine
CID 53426036
4,6-Dichloro-5-(2-methylpropyl)pyrimidine
CID 57832833
4-(4,6-Dichloropyrimidin-5-yl)butan-2-one
CID 58182663
1-(4,6-Dichloropyrimidin-5-yl)propan-1-ol
CID 86632016
4,6-Dichloro-5-pentylpyrimidine
CID 87510136
3-(4,6-Dichloropyrimidin-5-yl)propan-1-ol
CID 87549207

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine (CID 88580536) is 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine is CCOC(C)Cc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine?
The InChIKey is IPGUIMUDXMKTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-3-14-6(2)4-7-8(10)12-5-13-9(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine?
4,6-dichloro-5-(2-ethoxypropyl)pyrimidine has a molecular weight of 235.11 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-ethoxypropyl)pyrimidine is sourced from PubChem (CID 88580536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).