6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine

C14H15Cl2N3 — CID 114879384

IUPAC6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C14H15Cl2N3/c1-3-12-13(18-8-19-14(12)17-4-2)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyMDJAHVADWFWUBB-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.44
Rot. Bonds4

About 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine

6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine (PubChem CID 114879384) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
PubChem CID114879384
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C14H15Cl2N3/c1-3-12-13(18-8-19-14(12)17-4-2)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyMDJAHVADWFWUBB-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine (CID 114879384) is 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(-c2cc(Cl)cc(Cl)c2)c1CC.
What is the InChIKey of 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is MDJAHVADWFWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-3-12-13(18-8-19-14(12)17-4-2)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine?
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 296.20 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 114879384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).