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

C7H10ClN3O2 — CID 80758347

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1ncc(Cl)c(NCCO)n1
InChIInChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyMEVPHFDLEVOWEX-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.54
Rot. Bonds4

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

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol (PubChem CID 80758347) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
PubChem CID80758347
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
SMILESCOc1ncc(Cl)c(NCCO)n1
InChIInChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11)
InChIKeyMEVPHFDLEVOWEX-UHFFFAOYSA-N
XLogP0.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol (CID 80758347) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol is COc1ncc(Cl)c(NCCO)n1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
The InChIKey is MEVPHFDLEVOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-13-7-10-4-5(8)6(11-7)9-2-3-12/h4,12H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol has a molecular weight of 203.63 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80758347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).