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

C16H19Cl2N3 — CID 80977454

IUPAC6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-6-14-20-15(10(3)16(21-14)19-5-2)12-9-11(17)7-8-13(12)18/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyAVEOCZHMUNQBBL-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.14
Rot. Bonds5

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

6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80977454) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80977454
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-6-14-20-15(10(3)16(21-14)19-5-2)12-9-11(17)7-8-13(12)18/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyAVEOCZHMUNQBBL-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

6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
N-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977618
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
6-(5-chlorothiophen-2-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977253
6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974811
5-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]thiophene-2-carbonitrile
CID 80974727
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
N-ethyl-6-(1-ethylimidazol-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976649

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (CID 80977454) is 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is AVEOCZHMUNQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-6-14-20-15(10(3)16(21-14)19-5-2)12-9-11(17)7-8-13(12)18/h7-9H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-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-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).