2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol

C9H12ClN3O — CID 71683355

IUPAC2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1ncc(Cl)cn1)C1CC1
InChIInChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13(3-4-14)8-1-2-8/h5-6,8,14H,1-4H2
InChIKeyPTTDRVGFCAAXPC-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.09
Rot. Bonds4

About 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol

2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol (PubChem CID 71683355) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol
PubChem CID71683355
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1ncc(Cl)cn1)C1CC1
InChIInChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13(3-4-14)8-1-2-8/h5-6,8,14H,1-4H2
InChIKeyPTTDRVGFCAAXPC-UHFFFAOYSA-N
XLogP1.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol (CID 71683355) is 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol is OCCN(c1ncc(Cl)cn1)C1CC1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol?
The InChIKey is PTTDRVGFCAAXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13(3-4-14)8-1-2-8/h5-6,8,14H,1-4H2.
What are the key properties of 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol?
2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol has a molecular weight of 213.67 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 71683355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).