[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol

C20H21N3O — CID 130431695

IUPAC[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol
SMILESNc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C20H21N3O/c21-19-11-17(12-20(22)23-19)18(16-4-2-1-3-5-16)10-14-6-8-15(13-24)9-7-14/h1-9,11-12,18,24H,10,13H2,(H4,21,22,23)
InChIKeyHNJBQLWVBNGJNY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.11
Rot. Bonds5

About [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol

[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol (PubChem CID 130431695) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol
PubChem CID130431695
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol
SMILESNc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C20H21N3O/c21-19-11-17(12-20(22)23-19)18(16-4-2-1-3-5-16)10-14-6-8-15(13-24)9-7-14/h1-9,11-12,18,24H,10,13H2,(H4,21,22,23)
InChIKeyHNJBQLWVBNGJNY-UHFFFAOYSA-N
XLogP3.11
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The IUPAC name of [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol (CID 130431695) is [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The canonical SMILES for [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol is Nc1cc(C(Cc2ccc(CO)cc2)c2ccccc2)cc(N)n1.
What is the InChIKey of [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
The InChIKey is HNJBQLWVBNGJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-19-11-17(12-20(22)23-19)18(16-4-2-1-3-5-16)10-14-6-8-15(13-24)9-7-14/h1-9,11-12,18,24H,10,13H2,(H4,21,22,23).
What are the key properties of [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol?
[4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol has a molecular weight of 319.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]phenyl]methanol is sourced from PubChem (CID 130431695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).