(4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol

C12H13N3O — CID 49857286

IUPAC[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanol
SMILESC1=CN=C(N=C1)NCC2=CC=C(C=C2)CO
InChIInChI=1S/C12H13N3O/c16-9-11-4-2-10(3-5-11)8-15-12-13-6-1-7-14-12/h1-7,16H,8-9H2,(H,13,14,15)
InChIKeyWSARVOLIODDIHN-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.10
Rot. Bonds4

About (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol

(4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol (PubChem CID 49857286) has the molecular formula C12H13N3O and a molecular weight of 215.25 g/mol. Its IUPAC name is [4-[(pyrimidin-2-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name(4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol
PubChem CID49857286
Molecular FormulaC12H13N3O
Molecular Weight215.25 g/mol
Exact Mass215.11
IUPAC Name[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanol
SMILESC1=CN=C(N=C1)NCC2=CC=C(C=C2)CO
InChIInChI=1S/C12H13N3O/c16-9-11-4-2-10(3-5-11)8-15-12-13-6-1-7-14-12/h1-7,16H,8-9H2,(H,13,14,15)
InChIKeyWSARVOLIODDIHN-UHFFFAOYSA-N
XLogP1.10
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity187

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
Phenyramidol Hydrochloride
CID 9469
Fenyripol Hydrochloride
CID 17118
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530290
N-(4-methylbenzyl)-(2-pyrimidyl)amine
CID 462457
Fenyripol
CID 17119
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-ol
CID 10709212
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]phenyl]methanol
CID 14999832
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 14999834
[5-[(2,4-Diaminopyrimidin-5-yl)methyl]-3-ethyl-2-(hydroxymethyl)phenyl]methanol
CID 44299608
2-[4-[(4-Methylpyrimidin-2-yl)amino]phenyl]ethanol
CID 51361052

Frequently Asked Questions

What is the IUPAC name of (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol?
The IUPAC name of (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol (CID 49857286) is [4-[(pyrimidin-2-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol?
The canonical SMILES for (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol is C1=CN=C(N=C1)NCC2=CC=C(C=C2)CO.
What is the InChIKey of (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol?
The InChIKey is WSARVOLIODDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-9-11-4-2-10(3-5-11)8-15-12-13-6-1-7-14-12/h1-7,16H,8-9H2,(H,13,14,15).
What are the key properties of (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol?
(4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol has a molecular weight of 215.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-((Pyrimidin-2-ylamino)methyl)phenyl)methanol is sourced from PubChem (CID 49857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).