2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol

C15H20N4O — CID 115915430

IUPAC2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-2-8-19(9-10-20)14-11-13(16)17-15(18-14)12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3,(H2,16,17,18)
InChIKeyJLCSJJJCHJVMJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds6

About 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol

2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol (PubChem CID 115915430) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
PubChem CID115915430
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-2-8-19(9-10-20)14-11-13(16)17-15(18-14)12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3,(H2,16,17,18)
InChIKeyJLCSJJJCHJVMJU-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol (CID 115915430) is 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is JLCSJJJCHJVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-19(9-10-20)14-11-13(16)17-15(18-14)12-6-4-3-5-7-12/h3-7,11,20H,2,8-10H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol?
2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 115915430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).