2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

C15H17Cl2N3 — CID 63479494

IUPAC2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-3-8-18-13-9-10(4-2)19-15(20-13)11-6-5-7-12(16)14(11)17/h5-7,9H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyIOQOXHWLIQEQCA-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.83
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 63479494) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID63479494
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-3-8-18-13-9-10(4-2)19-15(20-13)11-6-5-7-12(16)14(11)17/h5-7,9H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyIOQOXHWLIQEQCA-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66158760
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62201749
2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 83092125
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192344
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
CID 114488346
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (CID 63479494) is 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is IOQOXHWLIQEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-3-8-18-13-9-10(4-2)19-15(20-13)11-6-5-7-12(16)14(11)17/h5-7,9H,3-4,8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63479494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).