N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine

C14H18N4 — CID 3613650

IUPACN',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N4/c1-18(2)9-8-15-14-16-10-13(11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyKXQBDXOURAALTG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.12
Rot. Bonds5

About N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 3613650) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID3613650
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N4/c1-18(2)9-8-15-14-16-10-13(11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyKXQBDXOURAALTG-UHFFFAOYSA-N
XLogP2.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine (CID 3613650) is N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine is CN(C)CCNc1ncc(-c2ccccc2)cn1.
What is the InChIKey of N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is KXQBDXOURAALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18(2)9-8-15-14-16-10-13(11-17-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 3613650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).