N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine

C13H21FN4O — CID 80870420

IUPACN-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCC2CCCN2C)n1
InChIInChI=1S/C13H21FN4O/c1-3-15-13-16-9-11(14)12(17-13)19-8-6-10-5-4-7-18(10)2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyPJRNTYWUDGLZTJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.91
Rot. Bonds6

About N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine

N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine (PubChem CID 80870420) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
PubChem CID80870420
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCC2CCCN2C)n1
InChIInChI=1S/C13H21FN4O/c1-3-15-13-16-9-11(14)12(17-13)19-8-6-10-5-4-7-18(10)2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyPJRNTYWUDGLZTJ-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
CID 80870802
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
N-ethyl-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80871209
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
CID 80870418
N-ethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-3-amine
CID 113424373
N,2-diethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80941958
2-cyclopropyl-N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
CID 131906846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine (CID 80870420) is N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine is CCNc1ncc(F)c(OCCC2CCCN2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine?
The InChIKey is PJRNTYWUDGLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-15-13-16-9-11(14)12(17-13)19-8-6-10-5-4-7-18(10)2/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 80870420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).