6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine

C16H19Cl2N3 — CID 80970830

IUPAC6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-9-19-16-10(3)15(20-13(5-2)21-16)11-7-6-8-12(17)14(11)18/h6-8H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyTXAXSSAYVXPAPL-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.14
Rot. Bonds5

About 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine

6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80970830) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80970830
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C16H19Cl2N3/c1-4-9-19-16-10(3)15(20-13(5-2)21-16)11-7-6-8-12(17)14(11)18/h6-8H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyTXAXSSAYVXPAPL-UHFFFAOYSA-N
XLogP5.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 114488677
2-ethyl-6-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80978174
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine (CID 80970830) is 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(-c2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is TXAXSSAYVXPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-9-19-16-10(3)15(20-13(5-2)21-16)11-7-6-8-12(17)14(11)18/h6-8H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine?
6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80970830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).