[2-(pyrimidin-5-ylmethylamino)phenyl]methanol

C12H13N3O — CID 62759551

IUPAC[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
SMILESOCc1ccccc1NCc1cncnc1
InChIInChI=1S/C12H13N3O/c16-8-11-3-1-2-4-12(11)15-7-10-5-13-9-14-6-10/h1-6,9,15-16H,7-8H2
InChIKeySCGMVMKCBATANS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.58
Rot. Bonds4

About [2-(pyrimidin-5-ylmethylamino)phenyl]methanol

[2-(pyrimidin-5-ylmethylamino)phenyl]methanol (PubChem CID 62759551) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [2-(pyrimidin-5-ylmethylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
PubChem CID62759551
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
SMILESOCc1ccccc1NCc1cncnc1
InChIInChI=1S/C12H13N3O/c16-8-11-3-1-2-4-12(11)15-7-10-5-13-9-14-6-10/h1-6,9,15-16H,7-8H2
InChIKeySCGMVMKCBATANS-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(pyridin-3-ylmethylamino)phenyl]methanol
CID 43743160
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
2-(pyrimidin-5-ylmethylamino)benzoic acid
CID 62758765
[2-(pyrazin-2-ylmethylamino)phenyl]methanol
CID 62762007
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
[2-(pyridin-2-ylmethylamino)phenyl]methanol
CID 43743203
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684

Frequently Asked Questions

What is the IUPAC name of [2-(pyrimidin-5-ylmethylamino)phenyl]methanol?
The IUPAC name of [2-(pyrimidin-5-ylmethylamino)phenyl]methanol (CID 62759551) is [2-(pyrimidin-5-ylmethylamino)phenyl]methanol.
What is the SMILES notation for [2-(pyrimidin-5-ylmethylamino)phenyl]methanol?
The canonical SMILES for [2-(pyrimidin-5-ylmethylamino)phenyl]methanol is OCc1ccccc1NCc1cncnc1.
What is the InChIKey of [2-(pyrimidin-5-ylmethylamino)phenyl]methanol?
The InChIKey is SCGMVMKCBATANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-8-11-3-1-2-4-12(11)15-7-10-5-13-9-14-6-10/h1-6,9,15-16H,7-8H2.
What are the key properties of [2-(pyrimidin-5-ylmethylamino)phenyl]methanol?
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol has a molecular weight of 215.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrimidin-5-ylmethylamino)phenyl]methanol is sourced from PubChem (CID 62759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).