2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C8H13ClN4O2 — CID 3947221

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1c(Cl)ncnc1N(CCO)CCO
InChIInChI=1S/C8H13ClN4O2/c9-7-6(10)8(12-5-11-7)13(1-3-14)2-4-15/h5,14-15H,1-4,10H2
InChIKeyORULTSIVHFGKGU-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.50
Rot. Bonds5

About 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 3947221) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID3947221
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1c(Cl)ncnc1N(CCO)CCO
InChIInChI=1S/C8H13ClN4O2/c9-7-6(10)8(12-5-11-7)13(1-3-14)2-4-15/h5,14-15H,1-4,10H2
InChIKeyORULTSIVHFGKGU-UHFFFAOYSA-N
XLogP-0.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 3947221) is 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is Nc1c(Cl)ncnc1N(CCO)CCO.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ORULTSIVHFGKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c9-7-6(10)8(12-5-11-7)13(1-3-14)2-4-15/h5,14-15H,1-4,10H2.
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 232.67 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 3947221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).