N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine

C13H21FN4O — CID 80870802

IUPACN-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCN2CCCCC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-15-13-16-10-11(14)12(17-13)19-9-8-18-6-4-3-5-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyVSMMRZNOWSVBLS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.91
Rot. Bonds6

About N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine (PubChem CID 80870802) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
PubChem CID80870802
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCCN2CCCCC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-15-13-16-10-11(14)12(17-13)19-9-8-18-6-4-3-5-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyVSMMRZNOWSVBLS-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-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870420
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
N-ethyl-2,5-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80871549
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891
(5-fluoro-4-propoxypyrimidin-2-yl)hydrazine
CID 80911557
N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine (CID 80870802) is N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine is CCNc1ncc(F)c(OCCN2CCCCC2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The InChIKey is VSMMRZNOWSVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-2-15-13-16-10-11(14)12(17-13)19-9-8-18-6-4-3-5-7-18/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(2-piperidin-1-ylethoxy)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-piperidin-1-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80870802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).