[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride

C12H14ClN3 — CID 105497270

IUPAC[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCc1ccccc1-c1cnc(CN)nc1.Cl
InChIInChI=1S/C12H13N3.ClH/c1-9-4-2-3-5-11(9)10-7-14-12(6-13)15-8-10;/h2-5,7-8H,6,13H2,1H3;1H
InChIKeyWZBDATRTIHHEFS-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.33
Rot. Bonds2

About [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride

[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride (PubChem CID 105497270) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride
PubChem CID105497270
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCc1ccccc1-c1cnc(CN)nc1.Cl
InChIInChI=1S/C12H13N3.ClH/c1-9-4-2-3-5-11(9)10-7-14-12(6-13)15-8-10;/h2-5,7-8H,6,13H2,1H3;1H
InChIKeyWZBDATRTIHHEFS-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
N'-[5-(2-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 117224164
[6-(2-methylphenyl)imidazo[1,2-a]pyrimidin-2-yl]methanamine
CID 117000165
5-(2-methylphenyl)pyrimidine
CID 4188102
2-[[5-(2-methylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975653
N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974208
5-(2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977237
2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
CID 62900182
[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
CID 82021867
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride (CID 105497270) is [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride is Cc1ccccc1-c1cnc(CN)nc1.Cl.
What is the InChIKey of [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride?
The InChIKey is WZBDATRTIHHEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.ClH/c1-9-4-2-3-5-11(9)10-7-14-12(6-13)15-8-10;/h2-5,7-8H,6,13H2,1H3;1H.
What are the key properties of [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride?
[5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylphenyl)pyrimidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 105497270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).