2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C13H16FN5 — CID 80780843

IUPAC2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H16FN5/c1-3-16-13-17-8-11(14)12(19-13)18-9(2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyXRQQAMMWZNPJSZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.62
Rot. Bonds5

About 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80780843) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80780843
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H16FN5/c1-3-16-13-17-8-11(14)12(19-13)18-9(2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyXRQQAMMWZNPJSZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-5-fluoropyrimidine-2,4-diamine
CID 80838421
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80802391
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80780843) is 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NC(C)c2ccncc2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is XRQQAMMWZNPJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-3-16-13-17-8-11(14)12(19-13)18-9(2)10-4-6-15-7-5-10/h4-9H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80780843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).