2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine

C12H14N4 — CID 115028788

IUPAC2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine
SMILESCc1ncc(Nc2ccccc2N)c(C)n1
InChIInChI=1S/C12H14N4/c1-8-12(7-14-9(2)15-8)16-11-6-4-3-5-10(11)13/h3-7,16H,13H2,1-2H3
InChIKeyJKYWNYDHRDZFLL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.42
Rot. Bonds2

About 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine

2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine (PubChem CID 115028788) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine
PubChem CID115028788
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine
SMILESCc1ncc(Nc2ccccc2N)c(C)n1
InChIInChI=1S/C12H14N4/c1-8-12(7-14-9(2)15-8)16-11-6-4-3-5-10(11)13/h3-7,16H,13H2,1-2H3
InChIKeyJKYWNYDHRDZFLL-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine (CID 115028788) is 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine is Cc1ncc(Nc2ccccc2N)c(C)n1.
What is the InChIKey of 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine?
The InChIKey is JKYWNYDHRDZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-12(7-14-9(2)15-8)16-11-6-4-3-5-10(11)13/h3-7,16H,13H2,1-2H3.
What are the key properties of 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine?
2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylpyrimidin-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 115028788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).