3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine

C12H14N3+ — CID 170230055

IUPAC3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine
SMILESCc1ccccc1Nc1ccnc[n+]1C
InChIInChI=1S/C12H13N3/c1-10-5-3-4-6-11(10)14-12-7-8-13-9-15(12)2/h3-9H,1-2H3/p+1
InChIKeySBBJUXPHQDUYOD-UHFFFAOYSA-O
MW200.26 g/mol
LogP1.96
Rot. Bonds2

About 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine

3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine (PubChem CID 170230055) has the molecular formula C12H14N3+ and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine
PubChem CID170230055
Molecular FormulaC12H14N3+
Molecular Weight200.26 g/mol
Exact Mass200.12
IUPAC Name3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine
SMILESCc1ccccc1Nc1ccnc[n+]1C
InChIInChI=1S/C12H13N3/c1-10-5-3-4-6-11(10)14-12-7-8-13-9-15(12)2/h3-9H,1-2H3/p+1
InChIKeySBBJUXPHQDUYOD-UHFFFAOYSA-O
XLogP1.96
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine
CID 170230051
2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
ethane;N-(2-methylphenyl)pyridin-3-amine
CID 143449341
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
N,2-dimethylaniline
CID 163768915
3-N-methyl-5-N-(2-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954720
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527
N-(2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560579

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine?
The IUPAC name of 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine (CID 170230055) is 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine.
What is the SMILES notation for 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine?
The canonical SMILES for 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine is Cc1ccccc1Nc1ccnc[n+]1C.
What is the InChIKey of 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine?
The InChIKey is SBBJUXPHQDUYOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13N3/c1-10-5-3-4-6-11(10)14-12-7-8-13-9-15(12)2/h3-9H,1-2H3/p+1.
What are the key properties of 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine?
3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine has a molecular weight of 200.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylphenyl)pyrimidin-3-ium-4-amine is sourced from PubChem (CID 170230055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).