2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol

C12H13N3O — CID 136866681

IUPAC2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(CN)c(-c2ccccc2O)n1
InChIInChI=1S/C12H13N3O/c1-8-14-7-9(6-13)12(15-8)10-4-2-3-5-11(10)16/h2-5,7,16H,6,13H2,1H3
InChIKeyULJUPMRKVPKBOQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.62
Rot. Bonds2

About 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol

2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 136866681) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol
PubChem CID136866681
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(CN)c(-c2ccccc2O)n1
InChIInChI=1S/C12H13N3O/c1-8-14-7-9(6-13)12(15-8)10-4-2-3-5-11(10)16/h2-5,7,16H,6,13H2,1H3
InChIKeyULJUPMRKVPKBOQ-UHFFFAOYSA-N
XLogP1.62
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
CID 136934488
2-methylindeno[2,1-d]pyrimidin-9-one
CID 23636012
2-methyl-4-(2-methylphenyl)pyrimidin-5-amine
CID 82374855
(6-methyl-4-phenyl-3-pyridinyl)methanamine
CID 90247119
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987
2-(5-amino-2-methyl-1,3-thiazol-4-yl)phenol
CID 84779153
5-(aminomethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 126972399
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
2-[3-(aminomethyl)-4-bromophenyl]phenol
CID 115051252
2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900
2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
CID 105472480

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol (CID 136866681) is 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol is Cc1ncc(CN)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is ULJUPMRKVPKBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-14-7-9(6-13)12(15-8)10-4-2-3-5-11(10)16/h2-5,7,16H,6,13H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 136866681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).