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

C12H13BrN4 — CID 117212350

IUPACN'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyQVIAKLIVKXWXHB-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds4

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

N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212350) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212350
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC NameN'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyQVIAKLIVKXWXHB-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117212350) is N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is QVIAKLIVKXWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2.
What are the key properties of N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).