5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 80802191

IUPAC5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-17-14-18-8-12(16)13(20-14)19-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyXMBCASULTOCZCY-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.39
Rot. Bonds5

About 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine

5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80802191) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80802191
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-17-14-18-8-12(16)13(20-14)19-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyXMBCASULTOCZCY-UHFFFAOYSA-N
XLogP4.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786812
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
5-chloro-2-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80840435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine (CID 80802191) is 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is XMBCASULTOCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-3-17-14-18-8-12(16)13(20-14)19-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80802191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).