N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine

C14H18N4 — CID 116974208

IUPACN-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCNCCNc1ncc(-c2ccccc2C)cn1
InChIInChI=1S/C14H18N4/c1-11-5-3-4-6-13(11)12-9-17-14(18-10-12)16-8-7-15-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyJQMRNBOVAHWKKP-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine

N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 116974208) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID116974208
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCNCCNc1ncc(-c2ccccc2C)cn1
InChIInChI=1S/C14H18N4/c1-11-5-3-4-6-13(11)12-9-17-14(18-10-12)16-8-7-15-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyJQMRNBOVAHWKKP-UHFFFAOYSA-N
XLogP2.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 116974208) is N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine is CNCCNc1ncc(-c2ccccc2C)cn1.
What is the InChIKey of N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is JQMRNBOVAHWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-5-3-4-6-13(11)12-9-17-14(18-10-12)16-8-7-15-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine?
N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[5-(2-methylphenyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).