4-methyl-3-(2-methylpyrimidin-5-yl)aniline

C12H13N3 — CID 170431309

IUPAC4-methyl-3-(2-methylpyrimidin-5-yl)aniline
SMILESCc1ncc(-c2cc(N)ccc2C)cn1
InChIInChI=1S/C12H13N3/c1-8-3-4-11(13)5-12(8)10-6-14-9(2)15-7-10/h3-7H,13H2,1-2H3
InChIKeyXBWMRQXZVWSDQV-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.34
Rot. Bonds1

About 4-methyl-3-(2-methylpyrimidin-5-yl)aniline

4-methyl-3-(2-methylpyrimidin-5-yl)aniline (PubChem CID 170431309) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpyrimidin-5-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-methylpyrimidin-5-yl)aniline
PubChem CID170431309
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-methyl-3-(2-methylpyrimidin-5-yl)aniline
SMILESCc1ncc(-c2cc(N)ccc2C)cn1
InChIInChI=1S/C12H13N3/c1-8-3-4-11(13)5-12(8)10-6-14-9(2)15-7-10/h3-7H,13H2,1-2H3
InChIKeyXBWMRQXZVWSDQV-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
CID 155718233
3-(6-iodosyl-3-pyridinyl)-4-methylaniline
CID 143943029
4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
CID 68548753
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
CID 169024574
3-(5-fluoro-2-pyridinyl)-4-methylaniline
CID 169175841
4-methyl-3-quinolin-6-ylaniline
CID 81224667
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
CID 63334858
2-methyl-5-[3,6,8-tris(2-methylpyrimidin-5-yl)pyren-1-yl]pyrimidine
CID 163198836
3-(3-chloro-5-methylphenyl)-4-methylaniline
CID 168929522
2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
5-(5-amino-2-methylphenyl)-2-(dimethylamino)pyridine-3-carbonitrile;5-bromo-2-(dimethylamino)pyridine-3-carbonitrile
CID 158413042

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpyrimidin-5-yl)aniline?
The IUPAC name of 4-methyl-3-(2-methylpyrimidin-5-yl)aniline (CID 170431309) is 4-methyl-3-(2-methylpyrimidin-5-yl)aniline.
What is the SMILES notation for 4-methyl-3-(2-methylpyrimidin-5-yl)aniline?
The canonical SMILES for 4-methyl-3-(2-methylpyrimidin-5-yl)aniline is Cc1ncc(-c2cc(N)ccc2C)cn1.
What is the InChIKey of 4-methyl-3-(2-methylpyrimidin-5-yl)aniline?
The InChIKey is XBWMRQXZVWSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-8-3-4-11(13)5-12(8)10-6-14-9(2)15-7-10/h3-7H,13H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methylpyrimidin-5-yl)aniline?
4-methyl-3-(2-methylpyrimidin-5-yl)aniline has a molecular weight of 199.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpyrimidin-5-yl)aniline is sourced from PubChem (CID 170431309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).