2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol

C10H16ClN3O2 — CID 80752006

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-4-14(5-6-15)9-8(11)7-12-10(13-9)16-2/h7,15H,3-6H2,1-2H3
InChIKeyXGOAYSOIMVTEGN-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.35
Rot. Bonds6

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol

2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol (PubChem CID 80752006) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
PubChem CID80752006
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-4-14(5-6-15)9-8(11)7-12-10(13-9)16-2/h7,15H,3-6H2,1-2H3
InChIKeyXGOAYSOIMVTEGN-UHFFFAOYSA-N
XLogP1.35
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.35
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)-propylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol (CID 80752006) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(OC)ncc1Cl.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is XGOAYSOIMVTEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-4-14(5-6-15)9-8(11)7-12-10(13-9)16-2/h7,15H,3-6H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.35, 6 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)-propylamino]ethanol is sourced from PubChem (CID 80752006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).