2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C13H20FN3O — CID 116776412

IUPAC2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(F)c(NC)n2)CCCC1
InChIInChI=1S/C13H20FN3O/c1-4-18-13(7-5-6-8-13)12-16-9(2)10(14)11(15-3)17-12/h4-8H2,1-3H3,(H,15,16,17)
InChIKeyFGHQNGVAXQZWBM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.77
Rot. Bonds4

About 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 116776412) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID116776412
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(F)c(NC)n2)CCCC1
InChIInChI=1S/C13H20FN3O/c1-4-18-13(7-5-6-8-13)12-16-9(2)10(14)11(15-3)17-12/h4-8H2,1-3H3,(H,15,16,17)
InChIKeyFGHQNGVAXQZWBM-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
2-(1-adamantyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 66000783

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 116776412) is 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CCOC1(c2nc(C)c(F)c(NC)n2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is FGHQNGVAXQZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-18-13(7-5-6-8-13)12-16-9(2)10(14)11(15-3)17-12/h4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).