4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine

C15H18Cl2N4 — CID 80980727

IUPAC4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-3-13-20-14(18)9(2)15(21-13)19-7-6-10-4-5-11(16)8-12(10)17/h4-5,8H,3,6-7H2,1-2H3,(H3,18,19,20,21)
InChIKeyFTUHOTYCRVZGKR-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.89
Rot. Bonds5

About 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80980727) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80980727
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-3-13-20-14(18)9(2)15(21-13)19-7-6-10-4-5-11(16)8-12(10)17/h4-5,8H,3,6-7H2,1-2H3,(H3,18,19,20,21)
InChIKeyFTUHOTYCRVZGKR-UHFFFAOYSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994334
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80726063

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80980727) is 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is FTUHOTYCRVZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-3-13-20-14(18)9(2)15(21-13)19-7-6-10-4-5-11(16)8-12(10)17/h4-5,8H,3,6-7H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 325.24 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).