2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol

C12H20ClN3O2 — CID 80752118

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-17)11-10(13)8-14-12(15-11)18-3/h8-9,17H,4-7H2,1-3H3
InChIKeyXLVSVPKPSCYSFY-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.13
Rot. Bonds7

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 80752118) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID80752118
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-17)11-10(13)8-14-12(15-11)18-3/h8-9,17H,4-7H2,1-3H3
InChIKeyXLVSVPKPSCYSFY-UHFFFAOYSA-N
XLogP2.13
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 80752118) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nc(OC)ncc1Cl.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is XLVSVPKPSCYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-4-9(5-2)16(6-7-17)11-10(13)8-14-12(15-11)18-3/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 273.76 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).