[4-(benzylamino)pyrimidin-5-yl]methanol

C12H13N3O — CID 28905189

IUPAC[4-(benzylamino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1NCc1ccccc1
InChIInChI=1S/C12H13N3O/c16-8-11-7-13-9-15-12(11)14-6-10-4-2-1-3-5-10/h1-5,7,9,16H,6,8H2,(H,13,14,15)
InChIKeyMJRZYMPGOOSYCH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.58
Rot. Bonds4

About [4-(benzylamino)pyrimidin-5-yl]methanol

[4-(benzylamino)pyrimidin-5-yl]methanol (PubChem CID 28905189) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [4-(benzylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(benzylamino)pyrimidin-5-yl]methanol
PubChem CID28905189
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[4-(benzylamino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1NCc1ccccc1
InChIInChI=1S/C12H13N3O/c16-8-11-7-13-9-15-12(11)14-6-10-4-2-1-3-5-10/h1-5,7,9,16H,6,8H2,(H,13,14,15)
InChIKeyMJRZYMPGOOSYCH-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

[4-[[(5-bromopyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232275
[4-(2-chloroanilino)pyrimidin-5-yl]methanol
CID 28905233
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
CID 62759551
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
CID 28905263
N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrimidin-4-amine
CID 75384889
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
CID 95560173
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
[6-(benzylamino)-2-methyl-3-pyridinyl]methanol
CID 102546130

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(benzylamino)pyrimidin-5-yl]methanol (CID 28905189) is [4-(benzylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(benzylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(benzylamino)pyrimidin-5-yl]methanol is OCc1cncnc1NCc1ccccc1.
What is the InChIKey of [4-(benzylamino)pyrimidin-5-yl]methanol?
The InChIKey is MJRZYMPGOOSYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-8-11-7-13-9-15-12(11)14-6-10-4-2-1-3-5-10/h1-5,7,9,16H,6,8H2,(H,13,14,15).
What are the key properties of [4-(benzylamino)pyrimidin-5-yl]methanol?
[4-(benzylamino)pyrimidin-5-yl]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 [4-(benzylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 28905189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).