6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine

C16H19Cl2N3 — CID 80940376

IUPAC6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-5-15-19-14(18)10-16(20-15)21(3)11(2)12-6-8-13(17)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyYIYBVYPDCHEHQL-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.93
Rot. Bonds5

About 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine

6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80940376) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80940376
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-5-15-19-14(18)10-16(20-15)21(3)11(2)12-6-8-13(17)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyYIYBVYPDCHEHQL-UHFFFAOYSA-N
XLogP4.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80943728
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80940880
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine (CID 80940376) is 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(C)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is YIYBVYPDCHEHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-5-15-19-14(18)10-16(20-15)21(3)11(2)12-6-8-13(17)9-7-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).