2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol

C12H13N3O — CID 86086968

IUPAC2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol
SMILESNc1ncc(-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C12H13N3O/c13-12-14-7-11(8-15-12)10-3-1-9(2-4-10)5-6-16/h1-4,7-8,16H,5-6H2,(H2,13,14,15)
InChIKeyQCWWVRDLSDDTPA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.26
Rot. Bonds3

About 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol

2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol (PubChem CID 86086968) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol
PubChem CID86086968
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol
SMILESNc1ncc(-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C12H13N3O/c13-12-14-7-11(8-15-12)10-3-1-9(2-4-10)5-6-16/h1-4,7-8,16H,5-6H2,(H2,13,14,15)
InChIKeyQCWWVRDLSDDTPA-UHFFFAOYSA-N
XLogP1.26
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10662394
CID 10662394
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2-(4-pentylphenyl)-5-phenylpyrimidine
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2-(4-butylphenyl)pyrimidin-5-amine
CID 82288047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol (CID 86086968) is 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol is Nc1ncc(-c2ccc(CCO)cc2)cn1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol?
The InChIKey is QCWWVRDLSDDTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-14-7-11(8-15-12)10-3-1-9(2-4-10)5-6-16/h1-4,7-8,16H,5-6H2,(H2,13,14,15).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol?
2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol has a molecular weight of 215.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol is sourced from PubChem (CID 86086968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).