2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol

C10H16ClN3O — CID 63729146

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)ncnc1N(CCO)C(C)C
InChIInChI=1S/C10H16ClN3O/c1-7(2)14(4-5-15)10-8(3)9(11)12-6-13-10/h6-7,15H,4-5H2,1-3H3
InChIKeyLLQNKFHSIJHCQC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.65
Rot. Bonds4

About 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol

2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 63729146) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID63729146
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)ncnc1N(CCO)C(C)C
InChIInChI=1S/C10H16ClN3O/c1-7(2)14(4-5-15)10-8(3)9(11)12-6-13-10/h6-7,15H,4-5H2,1-3H3
InChIKeyLLQNKFHSIJHCQC-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 63729146) is 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol is Cc1c(Cl)ncnc1N(CCO)C(C)C.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is LLQNKFHSIJHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)14(4-5-15)10-8(3)9(11)12-6-13-10/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 63729146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).