N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C14H18N4 — CID 117211279

IUPACN'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(C)ncc2NCCN)cc1
InChIInChI=1S/C14H18N4/c1-10-3-5-12(6-4-10)14-13(16-8-7-15)9-17-11(2)18-14/h3-6,9,16H,7-8,15H2,1-2H3
InChIKeyIJKRBKWDBXNQGF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.13
Rot. Bonds4

About N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211279) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211279
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(C)ncc2NCCN)cc1
InChIInChI=1S/C14H18N4/c1-10-3-5-12(6-4-10)14-13(16-8-7-15)9-17-11(2)18-14/h3-6,9,16H,7-8,15H2,1-2H3
InChIKeyIJKRBKWDBXNQGF-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211279) is N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is Cc1ccc(-c2nc(C)ncc2NCCN)cc1.
What is the InChIKey of N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is IJKRBKWDBXNQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-3-5-12(6-4-10)14-13(16-8-7-15)9-17-11(2)18-14/h3-6,9,16H,7-8,15H2,1-2H3.
What are the key properties of N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).