4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80939872

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccc(Cl)cc2)nc(CC)n1
InChIInChI=1S/C16H21ClN4/c1-3-14-20-15(18-4-2)11-16(21-14)19-10-9-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyDDTJIYSWJDZATH-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.78
Rot. Bonds7

About 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine

4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80939872) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80939872
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccc(Cl)cc2)nc(CC)n1
InChIInChI=1S/C16H21ClN4/c1-3-14-20-15(18-4-2)11-16(21-14)19-10-9-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyDDTJIYSWJDZATH-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994334
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine (CID 80939872) is 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NCCc2ccc(Cl)cc2)nc(CC)n1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is DDTJIYSWJDZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-14-20-15(18-4-2)11-16(21-14)19-10-9-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 304.83 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).