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

C15H19ClN4 — CID 80802333

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-4-17-15-18-9-10(2)14(20-15)19-11(3)12-7-5-6-8-13(12)16/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyDNTNCKKOJQJGAU-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.04
Rot. Bonds5

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

4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80802333) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80802333
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-4-17-15-18-9-10(2)14(20-15)19-11(3)12-7-5-6-8-13(12)16/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyDNTNCKKOJQJGAU-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80802888
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80802333) is 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is DNTNCKKOJQJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-17-15-18-9-10(2)14(20-15)19-11(3)12-7-5-6-8-13(12)16/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80802333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).