2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol

C13H22FN3O2 — CID 134699996

IUPAC2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)c1ncc(F)c(OC)n1
InChIInChI=1S/C13H22FN3O2/c1-5-13(6-2,9-18)8-17(3)12-15-7-10(14)11(16-12)19-4/h7,18H,5-6,8-9H2,1-4H3
InChIKeyYSZCXYOCHKNFSU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.86
Rot. Bonds7

About 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol

2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol (PubChem CID 134699996) has the molecular formula C13H22FN3O2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol
PubChem CID134699996
Molecular FormulaC13H22FN3O2
Molecular Weight271.34 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)c1ncc(F)c(OC)n1
InChIInChI=1S/C13H22FN3O2/c1-5-13(6-2,9-18)8-17(3)12-15-7-10(14)11(16-12)19-4/h7,18H,5-6,8-9H2,1-4H3
InChIKeyYSZCXYOCHKNFSU-UHFFFAOYSA-N
XLogP1.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol with MolForge

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Related Compounds

5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
[3-Fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 121537713
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
2-[(2S)-1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
CID 129619767
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
CID 164633283
2,4-Diethoxy-5-fluoropyrimidine
CID 255393
2,4-Di(n-butoxy)-5-fluoropyrimidine
CID 13061613
4-Ethoxy-5-fluoro-2-(2-methylpropoxy)pyrimidine
CID 140984016
2-Tert-butyl-5-fluoro-4-methoxypyrimidine
CID 153510396
5-Fluoro-4-methoxy-2-piperidin-1-ylpyrimidine
CID 169090115

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol (CID 134699996) is 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)c1ncc(F)c(OC)n1.
What is the InChIKey of 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol?
The InChIKey is YSZCXYOCHKNFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O2/c1-5-13(6-2,9-18)8-17(3)12-15-7-10(14)11(16-12)19-4/h7,18H,5-6,8-9H2,1-4H3.
What are the key properties of 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol has a molecular weight of 271.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-fluoro-4-methoxypyrimidin-2-yl)-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 134699996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).