6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine

C16H19Cl2N3O2 — CID 88834197

IUPAC6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(Cl)nc(-c2cccc(Cl)c2)n1)OCC
InChIInChI=1S/C16H19Cl2N3O2/c1-3-22-15(23-4-2)10-19-14-9-13(18)20-16(21-14)11-6-5-7-12(17)8-11/h5-9,15H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyLVXFAVFWJQEDLT-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.26
Rot. Bonds8

About 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine

6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine (PubChem CID 88834197) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
PubChem CID88834197
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(Cl)nc(-c2cccc(Cl)c2)n1)OCC
InChIInChI=1S/C16H19Cl2N3O2/c1-3-22-15(23-4-2)10-19-14-9-13(18)20-16(21-14)11-6-5-7-12(17)8-11/h5-9,15H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyLVXFAVFWJQEDLT-UHFFFAOYSA-N
XLogP4.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine (CID 88834197) is 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine is CCOC(CNc1cc(Cl)nc(-c2cccc(Cl)c2)n1)OCC.
What is the InChIKey of 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The InChIKey is LVXFAVFWJQEDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-3-22-15(23-4-2)10-19-14-9-13(18)20-16(21-14)11-6-5-7-12(17)8-11/h5-9,15H,3-4,10H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine has a molecular weight of 356.25 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 88834197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).