N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine

C18H25BrN4 — CID 3066131

IUPACN'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccc(Br)cc1)c1cc(C)ncn1
InChIInChI=1S/C18H25BrN4/c1-4-22(5-2)10-11-23(18-12-15(3)20-14-21-18)13-16-6-8-17(19)9-7-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3
InChIKeySLIYYFPXKZQDOB-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.90
Rot. Bonds8

About N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine

N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 3066131) has the molecular formula C18H25BrN4 and a molecular weight of 377.33 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID3066131
Molecular FormulaC18H25BrN4
Molecular Weight377.33 g/mol
Exact Mass376.13
IUPAC NameN'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccc(Br)cc1)c1cc(C)ncn1
InChIInChI=1S/C18H25BrN4/c1-4-22(5-2)10-11-23(18-12-15(3)20-14-21-18)13-16-6-8-17(19)9-7-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3
InChIKeySLIYYFPXKZQDOB-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 3066131) is N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine is CCN(CC)CCN(Cc1ccc(Br)cc1)c1cc(C)ncn1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is SLIYYFPXKZQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4/c1-4-22(5-2)10-11-23(18-12-15(3)20-14-21-18)13-16-6-8-17(19)9-7-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 377.33 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-(6-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 3066131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).