2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

C15H19FN4 — CID 80801576

IUPAC2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H19FN4/c1-4-17-15-18-9-13(16)14(20-15)19-11(3)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyRODLDNSTQSYPDY-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.53
Rot. Bonds5

About 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80801576) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80801576
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H19FN4/c1-4-17-15-18-9-13(16)14(20-15)19-11(3)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyRODLDNSTQSYPDY-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80802391
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333
2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780843
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-5-fluoropyrimidine-2,4-diamine
CID 80838421
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783494
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (CID 80801576) is 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NC(C)c2ccccc2C)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RODLDNSTQSYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-17-15-18-9-13(16)14(20-15)19-11(3)12-8-6-5-7-10(12)2/h5-9,11H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).