3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine

C13H16N4 — CID 115550367

IUPAC3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
SMILESCc1nccc(CNc2c(C)cccc2N)n1
InChIInChI=1S/C13H16N4/c1-9-4-3-5-12(14)13(9)16-8-11-6-7-15-10(2)17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyJZOXIQHCKHAVFV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine

3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine (PubChem CID 115550367) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
PubChem CID115550367
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
SMILESCc1nccc(CNc2c(C)cccc2N)n1
InChIInChI=1S/C13H16N4/c1-9-4-3-5-12(14)13(9)16-8-11-6-7-15-10(2)17-11/h3-7,16H,8,14H2,1-2H3
InChIKeyJZOXIQHCKHAVFV-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107106754
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393358
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine (CID 115550367) is 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine is Cc1nccc(CNc2c(C)cccc2N)n1.
What is the InChIKey of 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine?
The InChIKey is JZOXIQHCKHAVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-3-5-12(14)13(9)16-8-11-6-7-15-10(2)17-11/h3-7,16H,8,14H2,1-2H3.
What are the key properties of 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine?
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115550367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).