N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine

C14H17BrN4 — CID 116977443

IUPACN'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4/c1-19(8-2-7-16)14-17-9-12(10-18-14)11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyLWNPBABWKLYXFX-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.69
Rot. Bonds5

About N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine

N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine (PubChem CID 116977443) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine
PubChem CID116977443
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4/c1-19(8-2-7-16)14-17-9-12(10-18-14)11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyLWNPBABWKLYXFX-UHFFFAOYSA-N
XLogP2.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine (CID 116977443) is N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine is CN(CCCN)c1ncc(-c2ccc(Br)cc2)cn1.
What is the InChIKey of N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine?
The InChIKey is LWNPBABWKLYXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-19(8-2-7-16)14-17-9-12(10-18-14)11-3-5-13(15)6-4-11/h3-6,9-10H,2,7-8,16H2,1H3.
What are the key properties of N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine?
N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine has a molecular weight of 321.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116977443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).