5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine

C8H6BrClN4O — CID 106421690

IUPAC5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
SMILESClc1ncnc(NCc2ccno2)c1Br
InChIInChI=1S/C8H6BrClN4O/c9-6-7(10)12-4-13-8(6)11-3-5-1-2-14-15-5/h1-2,4H,3H2,(H,11,12,13)
InChIKeyLTTBQYCMYYCMRH-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine

5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106421690) has the molecular formula C8H6BrClN4O and a molecular weight of 289.52 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106421690
Molecular FormulaC8H6BrClN4O
Molecular Weight289.52 g/mol
Exact Mass287.94
IUPAC Name5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
SMILESClc1ncnc(NCc2ccno2)c1Br
InChIInChI=1S/C8H6BrClN4O/c9-6-7(10)12-4-13-8(6)11-3-5-1-2-14-15-5/h1-2,4H,3H2,(H,11,12,13)
InChIKeyLTTBQYCMYYCMRH-UHFFFAOYSA-N
XLogP2.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106424788
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024
N-(1,2-oxazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106419145
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
CID 106424136
4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
CID 106414475
7-methyl-N-(1,2-oxazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106419173
5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
CID 106195566
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192856
N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine
CID 106419182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine (CID 106421690) is 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine is Clc1ncnc(NCc2ccno2)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is LTTBQYCMYYCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4O/c9-6-7(10)12-4-13-8(6)11-3-5-1-2-14-15-5/h1-2,4H,3H2,(H,11,12,13).
What are the key properties of 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine?
5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 289.52 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106421690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).